5-Methyl-4H-1,2,4-triazole-3-carbaldehyde - CAS 56804-98-9

Catalog:	BB029492
Product Name:	5-Methyl-4H-1,2,4-triazole-3-carbaldehyde
CAS:	56804-98-9
Synonyms:	5-methyl-1H-1,2,4-triazole-3-carboxaldehyde; 5-methyl-1H-1,2,4-triazole-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-methyl-1H-1,2,4-triazole-3-carbaldehyde
Description:	5-Methyl-4H-1,2,4-triazole-3-carbaldehyde (CAS# 56804-98-9 ) is a useful research chemical.
Molecular Weight:	111.10
Molecular Formula:	C4H5N3O
Canonical SMILES:	CC1=NC(=NN1)C=O
InChI:	InChI=1S/C4H5N3O/c1-3-5-4(2-8)7-6-3/h2H,1H3,(H,5,6,7)
InChI Key:	TXNWXXKJPZYOKA-UHFFFAOYSA-N
LogP:	-0.07440

Publication Number	Title	Priority Date
BR-112019017171-A2	1h-pyrazolo [4,3-b] pde1-inhibiting pyridines, pharmaceutical composition and use thereof	20171220
TW-201927779-A	1H-pyrazolo[4,3-b]pyridine as a PDE1 inhibitor	20171220
US-2019194189-A1	1h-pyrazolo[4,3-b]pyridines as pde1 inhibitors	20171220
CN-111556871-A	1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors	20171220
US-10766893-B2	1H-pyrazolo[4,3-b]pyridines as PDE1 inhibitors	20171220

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
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[87-88-7]
Chloranilic acid
[959574-98-2]
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[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	95.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.043261792
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	111.043261792
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2