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

Name: (1-Methyl-1H-1,2,4-triazol-5-yl)methanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

[113724-48-4]C9H12O2
(R)-1-(2-Methoxyphenyl)ethanol
[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[18621-17-5]C16H17NO
1-Benzhydrylazetan-3-ol
[2006278-33-5]C16H16O2
2-(6-Methoxy-2-naphthyl)-4-pentyn-2-ol
[189449-41-0]C6H6ClNO
4-Chloro-3-pyridinemethanol

Triazole/Tetrazole

[25537-64-8]C3H3Br2N3
4,5-Dibromo-1-methyl-1,2,3-triazole
[1415314-22-5]C6H3ClIN3
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1243250-13-6]C6H8BrN3O2
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[13616-37-0]C5H8N4O2
Ethyl 1H-tetrazole-5-acetate
[1823442-03-0]C8H12BrN3O2
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823783-63-6]C6H8ClN3O2
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate

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