1-Methyl-1H-1,2,4-triazole-3-methanol - CAS 135242-93-2

Catalog:	BB008114
Product Name:	1-Methyl-1H-1,2,4-triazole-3-methanol
CAS:	135242-93-2
Synonyms:	(1-methyl-1,2,4-triazol-3-yl)methanol; (1-methyl-1,2,4-triazol-3-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(1-methyl-1,2,4-triazol-3-yl)methanol
Description:	1-Methyl-1H-1,2,4-triazole-3-methanol (CAS# 135242-93-2) is a useful research chemical.
Molecular Weight:	113.12
Molecular Formula:	C4H7N3O
Canonical SMILES:	CN1C=NC(=N1)CO
InChI:	InChI=1S/C4H7N3O/c1-7-3-5-4(2-8)6-7/h3,8H,2H2,1H3
InChI Key:	WEDYTSQNYJKOPC-UHFFFAOYSA-N
Boiling Point:	296.847 °C at 760 mmHg
Density:	1.336 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD16710296
LogP:	-0.69260

Publication Number	Title	Priority Date
WO-2021080330-A1	Nicotinamide compound and herbicidal composition comprising compound	20191021
KR-20210047264-A	Nicotinamide Compounds and Herbicide Composition Comprising the Same	20191021
WO-2021025976-A1	Substituted cyclopropyl-2,2'-bipyrimidinyl compounds, analogues thereof, and methods using same	20190802
WO-2020123674-A1	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
TW-202035359-A	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212

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Related Functional Groups

Triazole/Tetrazole

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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:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.058911855
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8