chempirical

1,3,5-Triazine-2,4-diamine

C3H5N5CAS 504-08-5111.11 g/mol

Open in Covalent MOL file
HNNNHNHHN

Properties

Molecular formula
C3H5N5
Molar mass
111.11 g/mol
Exact mass
111.0545 Da
Melting point
above 300 °C
logP
-1.30Crippen estimate
Polar surface area
92.2 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
0

Identifiers

CAS number
504-08-5
SMILES
N=c1nc[nH]c(=N)[nH]1
InChIKey
VZXTWGWHSMCWGA-UHFFFAOYSA-N
InChI
InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)

Weigh it out

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

Names and synonyms

11 names
  • s-Triazine, 2,4-diamino-
  • Formoguanamine
  • Guanamine
  • 2,6-Diamino-s-triazine
  • 2,4-Diamino-s-triazine
  • 4,6-Diamino-s-triazine
  • Diamino-s-triazine
  • 2,4-Diamino-1,3,5-triazine
  • 2,6-Diamino-1,3,5-triazine
  • NSC 251
  • D 2227

Work with 1,3,5-Triazine-2,4-diamine

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

2-Aminoimidazole7720-39-041 % similar 2,4-Diaminopyrimidine156-81-041 % similar 1,3,5-Triazin-2-amine4122-04-741 % similar 2-Aminopurine452-06-239 % similar Thioguanine154-42-738 % similar Guanine73-40-538 % similar 6-Chloro-1,3,5-triazine-2,4-diamine3397-62-438 % similar Acetoguanamine542-02-938 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook