1-Methyl-1H-1,2,4-triazole-3-carbaldehyde - CAS 126748-87-6

Name: 1-Methyl-1H-1,2,4-triazole-3-carbaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB006655
Product Name:	1-Methyl-1H-1,2,4-triazole-3-carbaldehyde
CAS:	126748-87-6
Synonyms:	1-methyl-1,2,4-triazole-3-carboxaldehyde; 1-methyl-1,2,4-triazole-3-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-methyl-1,2,4-triazole-3-carbaldehyde
Description:	1-Methyl-1H-1,2,4-triazole-3-carbaldehyde (CAS# 126748-87-6 ) is a useful research chemical.
Molecular Weight:	111.10
Molecular Formula:	C4H5N3O
Canonical SMILES:	CN1C=NC(=N1)C=O
InChI:	InChI=1S/C4H5N3O/c1-7-3-5-4(2-8)6-7/h2-3H,1H3
InChI Key:	NLBSACQGJDXXNQ-UHFFFAOYSA-N
LogP:	0.00000

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
BR-112019017058-A2	compounds such as pde1 inhibitors, pharmaceutical composition and use thereof	20171220
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
TW-201927784-A	As a major ring of PDE1 inhibitors	20171220
US-10618913-B2	Macrocycles as PDE1 inhibitors	20171220

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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	111.043261792
Rotatable Bond Count:	1
Topological Polar Surface Area:	47.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2