chempirical

Aminopyrazine

C4H5N3CAS 5049-61-695.10 g/mol

Open in Covalent MOL file
H2NNN
Primary amine

Properties

Molecular formula
C4H5N3
Molar mass
95.10 g/mol
Exact mass
95.0483 Da
Melting point
117 °C
Boiling point
218 °C
logP
0.06Crippen estimate
Polar surface area
51.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 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
5049-61-6
SMILES
Nc1cnccn1
InChIKey
XFTQRUTUGRCSGO-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3/c5-4-3-6-1-2-7-4/h1-3H,(H2,5,7)

Weigh it out

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

Names and synonyms

11 names
  • 2-Pyrazinamine
  • Pyrazinamine
  • Pyrazine, 1,2-dihydro-2-imino-
  • Pyrazine, amino-
  • ENT 60202
  • 2-Aminopyrazine
  • 1,2-Dihydro-2-iminopyrazine
  • Pyrazin-2-ylamine
  • NSC 13147
  • 2-Amino-1,4-pyrazine
  • 3-Aminopyrazine

Work with Aminopyrazine

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

2,6-Pyrazinediamine(9ci)41536-80-548 % similar Pyrazin-2-yl-hydrazine54608-52-544 % similar (Pyrazin-2-ylmethyl)amine20010-99-542 % similar Methylpyrazine109-08-042 % similar Chloropyrazine14508-49-742 % similar Iodopyrazine32111-21-042 % similar 2-Fluoropyrazine 984949-13-742 % similar 2-Aminopyridine504-29-042 % similar

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

Same formula

2-Aminopyrimidine109-12-6 4-Aminopyridazine20744-39-2 3-Pyridazinamine5469-70-5 4-Aminopyrimidine591-54-8 Pyrimidin-5-amine591-55-9 Iminodiacetonitrile628-87-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook