chempirical

3,5-Diamino-1,2,4-triazole

C2H5N5CAS 503-88-899.10 g/mol

Open in Covalent MOL file
HNHNNHNHNH

Properties

Molecular formula
C2H5N5
Molar mass
99.10 g/mol
Exact mass
99.0545 Da
Melting point
205 °C (decomposes)
logP
-1.37Crippen estimate
Polar surface area
95.1 Ų
H-bond donors / acceptors
5 / 2
Rotatable bonds
0

Identifiers

CAS number
503-88-8
SMILES
N=c1[nH][nH]c(=N)[nH]1
InChIKey
PKWIYNIDEDLDCJ-UHFFFAOYSA-N
InChI
InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)

Weigh it out

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

Names and synonyms

8 names
  • 1H-1,2,4-Triazole-3,5-diamine
  • Guanazole
  • 3,5-Diamino-s-triazole
  • NSC 1895
  • 3,5-Diamino-1H-1,2,4-triazole
  • NSC 166592
  • NSC 167391
  • NSC 167392

Work with 3,5-Diamino-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

Melamine108-78-167 % similar 1,3,5-Triazine-2,4,6-triamine, hydrobromide (1:?)29305-12-253 % similar Melamine resin9003-08-144 % similar Melamine cyanurate37640-57-640 % similar 1,3,5-Triazinane-2,4,6-triimine phosphate20208-95-138 % similar 2-Aminoimidazole7720-39-035 % similar 2-Aminobenzimidazole934-32-735 % similar 2-Amino-1H-imidazole-4,5-dicarbonitrile40953-34-233 % similar

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

Same formula

3,5-Diamino-1,2,4-triazole1455-77-2 1-Methyl-1H-tetrazol-5-amine5422-44-6 2-Methyl-2H-tetrazol-5-amine6154-04-7

Elsewhere

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