1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one - CAS 13877-55-9

Catalog:	BB008833
Product Name:	1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CAS:	13877-55-9
Synonyms:	1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one; 1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

Technical Data

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Computed Properties

IUPAC Name:	1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
Description:	1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one (CAS# 13877-55-9) is a useful research chemical.
Molecular Weight:	136.114
Molecular Formula:	C5H4N4O
Canonical SMILES:	C1=NNC2=C1N=CNC2=O
InChI:	InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10)
InChI Key:	JFZSDNLQDTYVEE-UHFFFAOYSA-N
Boiling Point:	463.5 °C at 760 mmHg
Density:	1.89 g/cm³
MDL:	MFCD08234378
LogP:	0.05850

Publication Number	Title	Priority Date
WO-2021094830-A2	Nitrogen oxide-donating pde-5 and/or pde-6 inhibitor compounds	20191111
KR-20210106508-A	DNA polymerase IIIC inhibitors and uses thereof	20181221
CA-3074865-A1	Methods of detection using x-ray fluorescence	20170914
WO-2019055754-A1	DETECTION METHODS USING X FLUORESCENCE	20170914
EP-3681504-A1	Methods of detection using x-ray fluorescence	20170914

PMID	Publication Date	Title	Journal
17894860	20070925	Crystal structure of Leishmania tarentolae hypoxanthine-guanine phosphoribosyltransferase	BMC structural biology
18066912	20070101	Interactions of calf spleen purine nucleoside phosphorylase with formycin B and its aglycone - spectroscopic and kinetic studies	Nucleosides, nucleotides & nucleic acids
16870435	20061001	Preparation of 1-(3-aminobenzo[d]isoxazol-5-yl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective, and efficacious inhibitors of coagulation factor Xa	Bioorganic & medicinal chemistry letters
16682200	20060715	Preparation of 1-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective and bioavailable inhibitors of coagulation factor Xa	Bioorganic & medicinal chemistry letters
16263283	20060201	New bicyclic cannabinoid receptor-1 (CB1-R) antagonists	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Pyrazolo[n,m-d]Pyrimidine

[1367815-84-6]
7-Isopropylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
[681428-42-2]
Ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
[938022-20-9]
Ethyl 7-methyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylate
[864871-66-9]
N-(2-Aminoethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
[393845-35-7]
Ethyl 1-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
[1215067-79-0]
7-amino-3H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.03851076
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	136.03851076
Rotatable Bond Count:	0
Topological Polar Surface Area:	70.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7