(1-Methyl-1H-1,2,4-triazol-5-yl)methanol - CAS 91616-36-3

Catalog:	BB053413
Product Name:	(1-Methyl-1H-1,2,4-triazol-5-yl)methanol
CAS:	91616-36-3
Synonyms:	(2-methyl-2h-[1,2,4]triazol-3-yl)-methanol; 1H-1,2,4-Triazole-5-methanol, 1-methyl-; 1-methyl-1,2,4-triazole-5-methanol; 3-Hydroxymethyl-2-methyl-1,2,4-triazole

Technical Data

Computed Properties

IUPAC Name:	(2-methyl-1,2,4-triazol-3-yl)methanol
Molecular Weight:	113.12
Molecular Formula:	C4H7N3O
Canonical SMILES:	CN1C(=NC=N1)CO
InChI:	InChI=1S/C4H7N3O/c1-7-4(2-8)5-3-6-7/h3,8H,2H2,1H3
InChI Key:	QUAQZVSGXQVIEP-UHFFFAOYSA-N
Boiling Point:	296.8±42.0°C (Predicted)
Melting Point:	66-67°C
Purity:	95%
Density:	1.33±0.1 g/cm3 (Predicted)

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Related Functional Groups

Alcohols and Derivatives

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[1251261-18-3]
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[189449-41-0]
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Triazole/Tetrazole

[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]
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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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8