3-Methyl-1,2,4-triazole - CAS 7170-01-6

Catalog:	BB034457
Product Name:	3-Methyl-1,2,4-triazole
CAS:	7170-01-6
Synonyms:	5-methyl-1H-1,2,4-triazole; 5-methyl-1H-1,2,4-triazole

Technical Data

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Computed Properties

IUPAC Name:	5-methyl-1H-1,2,4-triazole
Description:	3-Methyl-1,2,4-triazole (CAS# 7170-01-6) is a useful research chemical compound.
Molecular Weight:	83.09
Molecular Formula:	C3H5N3
Canonical SMILES:	CC1=NC=NN1
InChI:	InChI=1S/C3H5N3/c1-3-4-2-5-6-3/h2H,1H3,(H,4,5,6)
InChI Key:	PZKFSRWSQOQYNR-UHFFFAOYSA-N
Boiling Point:	233.1 °C at 760 mmHg
Density:	1.178 g/cm³
MDL:	MFCD00233931
LogP:	0.11310

Publication Number	Title	Priority Date
CN-113072696-A	Preparation method of linear-annular reversible topological structure polymer	20210428
CN-113045993-A	Polishing solution for processing ultra-smooth low-damage bearing steel surface and application thereof	20210325
CN-113144918-A	For CO2Removed membrane material and preparation method thereof	20210129
CN-112663064-A	Copper-molybdenum metal etching solution and preparation method and application thereof	20201216
CN-111848718-A	Tripterine nitrogenous five-membered heterocyclic derivative and preparation method and application thereof	20200819

PMID	Publication Date	Title	Journal
22115595	20120101	3-mercapto-1,2,4-triazoles and N-acylated thiosemicarbazides as metallo-β-lactamase inhibitors	Bioorganic & medicinal chemistry letters
21179342	20100401	Synthesis and antimicrobial activity of 3-(1,3,4-Oxadiazol-2-yl)quinazolin-4(3H)-ones	Scientia pharmaceutica
11714312	20011101	N-heterocyclic derivatives of 2,4-dihydroxybenzcarbothioamide as antimycotic agents	Journal of agricultural and food chemistry
11517724	20010801	Synthesis and molluscicidal structure-activity relationships of some novel 1,2,4-triazole N-methyl carbamates	Pest management science

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Related Functional Groups

Triazole/Tetrazole

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GHS Hazard Statement:	H302 (92.86%): 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:	45.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	83.048347172
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	83.048347172
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4