chempirical

3-Methyl-1,2,4-triazole

C3H5N3CAS 7170-01-683.09 g/mol

Open in Covalent MOL file
NNHN

Properties

Molecular formula
C3H5N3
Molar mass
83.09 g/mol
Exact mass
83.0483 Da
Melting point
94 °C
Boiling point
138 °C (at 8 Torr)
logP
0.11Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
7170-01-6
SMILES
Cc1nc[nH]n1
InChIKey
PZKFSRWSQOQYNR-UHFFFAOYSA-N
InChI
InChI=1S/C3H5N3/c1-3-4-2-5-6-3/h2H,1H3,(H,4,5,6)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 1H-1,2,4-Triazole, 5-methyl-
  • s-Triazole, 3-methyl-
  • 1H-1,2,4-Triazole, 3-methyl-
  • 5-Methyl-1H-1,2,4-triazole
  • 3-Methyl-4H-1,2,4-triazole
  • 3-Methyltriazole
  • 3-Methyl-1H-1,2,4-triazole
  • NSC 202575
  • 3-Methyl-1,2,4-1H-triazole
  • 5-Methyl-1H-[1,2,4]triazole

Work with 3-Methyl-1,2,4-triazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Chloro-1H-1,2,4-triazole6818-99-143 % similar 3-Mercapto-1,2,4-triazole3179-31-542 % similar 2,4-Dihydro-3H-1,2,4-triazol-3-one930-33-642 % similar 1H-1,2,4-Triazole-5-carbonitrile3641-10-937 % similar 3-Nitro-1,2,4-triazole24807-55-434 % similar Methyl 1H-1,2,4-triazole-5-carboxylate4928-88-534 % similar 1,2,4-Triazole-3-carboxylic acid4928-87-433 % similar 5-Methyl-2H-tetrazole4076-36-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1H-Pyrazol-3-amine1820-80-0 1H-Pyrazol-4-amine28466-26-4 2-Aminoimidazole7720-39-0

Elsewhere

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