1,3,5-Triazin-2-amine

C3H4N4CAS 4122-04-796.09 g/mol

Open in Covalent MOL file
HNNNHN

Properties

Molecular formula
C3H4N4
Molar mass
96.09 g/mol
Exact mass
96.0436 Da
Melting point
224 °C (decomposes)
Boiling point
195–205 °C
logP
-0.72Crippen estimate
Polar surface area
65.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4122-04-7
SMILES
N=c1ncnc[nH]1
InChIKey
KCZIUKYAJJEIQG-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N4/c4-3-6-1-5-2-7-3/h1-2H,(H2,4,5,6,7)

Weigh it out

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

Names and synonyms

6 names
  • s-Triazine, 2-amino-
  • Aminotriazine
  • 2-Amino-1,3,5-triazine
  • 2-Amino-s-triazine
  • NSC 54656
  • Amino-1,3,5-triazine

Work with 1,3,5-Triazin-2-amine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-5-bromopyrimidine7752-82-141 % similar 2-Aminopyrimidine109-12-641 % similar 1,3,5-Triazine-2,4-diamine504-08-541 % similar 3-Amino-1,2,4-triazole61-82-538 % similar 6-Amino-1,3,5-triazin-2(1H)-one931-86-238 % similar 4-Amino-5-bromopyrimidine1439-10-737 % similar 5-Iodo-2-pyrimidinamine1445-39-237 % similar 5-Chloro-2-pyrimidinamine5428-89-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Amino-1,2,4-triazine1120-99-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook