(4-Methyl-4H-1,2,4-triazol-3-yl)methanamine - CAS 145942-99-0

Catalog:	BB010023
Product Name:	(4-Methyl-4H-1,2,4-triazol-3-yl)methanamine
CAS:	145942-99-0
Synonyms:	(4-methyl-1,2,4-triazol-3-yl)methanamine; (4-methyl-1,2,4-triazol-3-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(4-methyl-1,2,4-triazol-3-yl)methanamine
Description:	(4-Methyl-4H-1,2,4-triazol-3-yl)methanamine (CAS# 145942-99-0) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C4H8N4
Canonical SMILES:	CN1C=NN=C1CN
InChI:	InChI=1S/C4H8N4/c1-8-3-6-7-4(8)2-5/h3H,2,5H2,1H3
InChI Key:	GPTOVFBEQFGLMP-UHFFFAOYSA-N
LogP:	-0.02590

Publication Number	Title	Priority Date
US-2019152966-A1	Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer	20160219
US-10807974-B2	Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer	20160219
US-10995088-B2	Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer	20160219
US-2021040078-A1	Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer	20160219
EP-3334733-A1	3-indol substituted derivatives, pharmaceutical compositions and methods for use	20150810

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Related Functional Groups

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	74.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.074896272
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.074896272
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.7