chempirical

3-Amino-5-methyl-4H-1,2,4-triazole

C3H6N4CAS 4923-01-798.11 g/mol

Open in Covalent MOL file
NNHNNH2
Primary amine

Properties

Molecular formula
C3H6N4
Molar mass
98.11 g/mol
Exact mass
98.0592 Da
logP
-0.30Crippen estimate
Polar surface area
67.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
4923-01-7
SMILES
CC1=NC(=NN1)N
InChIKey
FJRZOOICEHBAED-UHFFFAOYSA-N
InChI
InChI=1S/C3H6N4/c1-2-5-3(4)7-6-2/h1H3,(H3,4,5,6,7)

Weigh it out

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

Work with 3-Amino-5-methyl-4H-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

3,5-Dimethyl-4H-1,2,4-triazole7343-34-250 % similar 2-Amino-5-bromo-4,6-dimethylpyrimidine4214-57-731 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook