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6-(4-Nitro-1H-pyrazol-1-yl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

6-(4-Nitro-1H-pyrazol-1-yl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 956200-84-3

Catalog:	BB052122
Product Name:	6-(4-Nitro-1H-pyrazol-1-yl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CAS:	956200-84-3
Synonyms:	6-(4-nitropyrazolyl)-8-hydro-1,2,4-triazolo[1,5-a]pyrimidine-2-carboxylic acid

Technical Data

Computed Properties

IUPAC Name:	6-(4-nitropyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
Molecular Weight:	275.18
Molecular Formula:	C9H5N7O4
Canonical SMILES:	C1=C(C=NC2=NC(=NN21)C(=O)O)N3C=C(C=N3)[N+](=O)[O-]
InChI:	InChI=1S/C9H5N7O4/c17-8(18)7-12-9-10-1-5(3-15(9)13-7)14-4-6(2-11-14)16(19)20/h1-4H,(H,17,18)
InChI Key:	NBGMDPKWWSRFIK-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea

Oxygen Compounds

[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[24550-39-8]
3-[(4-Chlorobenzyl)oxy]benzaldehyde
[205319-06-8]
Dichloro[bis(2-(diphenylphosphino)phenyl)ether]palladium(II)

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride

Triazolo[n,m-a]Pyridine&Pyrimidine

[1018142-95-4]
10-Ethyl-6,8-dimethyl-5-oxo-5,10-dihydropyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid
[1160246-31-0]
Ethyl [5-methyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate
[1142943-96-1]
N-(5-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
[959237-50-4]
2-[1,2,4]Triazolo[1,5-A]pyrimidin-6-ylethanol
[1245807-23-1]
3-{7-[4-(Acetylamino)Phenyl][1,2,4]Triazolo[1,5-A]Pyrimidin-2-Yl}Propanoic Acid
[1018144-12-1]
6-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

Complexity:	416
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.04030167
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	275.04030167
Rotatable Bond Count:	2
Topological Polar Surface Area:	144
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2