chempirical

4-Amino-3,5-dimethyl-1,2,4-triazole

C4H8N4CAS 3530-15-2112.14 g/mol

Open in Covalent MOL file
NNNNH2
Primary amine

Properties

Molecular formula
C4H8N4
Molar mass
112.14 g/mol
Exact mass
112.0749 Da
Melting point
196 °C
logP
-0.39Crippen estimate
Polar surface area
56.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
3530-15-2
SMILES
Cc1nnc(C)n1N
InChIKey
MIIKMZAVLKMOFM-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N4/c1-3-6-7-4(2)8(3)5/h5H2,1-2H3

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Names and synonyms

10 names
  • 4H-1,2,4-Triazol-4-amine, 3,5-dimethyl-
  • 4H-1,2,4-Triazole, 4-amino-3,5-dimethyl-
  • 3,5-Dimethyl-4H-1,2,4-triazol-4-amine
  • 4-Amino-3,5-dimethyl-4H-1,2,4-triazole
  • 3,5-Dimethyl-4-amino-1,2,4-triazole
  • 3,5-Dimethyl-4-amino-4H-1,2,4-triazole
  • NSC 23773
  • NSC 34805
  • 3,5-Dimethyl-1,2,4-triazol-4-amine
  • 3,5-Dimethyl-[1,2,4]triazol-4-ylamine

Work with 4-Amino-3,5-dimethyl-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

Metamitron41394-05-244 % similar 3,5-Bis-methoxymethyl-1,2,4-triazol-4-ylamine111853-51-133 % similar

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

Elsewhere

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