Guanazine
Basic information
- CAS
473-96-1- Standard SMILES
Nc1nnc(N)n1N- InChIKey
JJGGIYYGVKGMQZ-UHFFFAOYSA-N- Molecular formula
- C2H6N6
- Average molar mass
- 114.11 g/mol
- Monoisotopic mass
- 114.06539422
Names & identifiers
- Preferred name
- Guanazine
- IUPAC
- 1,2,4-triazole-3,4,5-triamine
- English name
- 4H-1,2,4-TRIAZOLE-3,4,5-TRIAMINE
- Molecular formula
- C2H6N6
- Molecular weight
- 114.11
Names & synonyms
4H-1,2,4-Triazole-3,4,5-triamine473-96-1Guanazine1,2,4-Triaminotriazole4O25P2N0XANSC-79145DTXSID90197094RefChem:144633DTXCID001195851,2,4-triazole-3,4,5-triamineMFCD006281833,4,5-triamino-1,2,4-triazole
Show more names
3,4,5-Triamino-4H-1,2,4-triazole(3,5-diamino-1,2,4-triazol-4-yl)amine1,2,4-triazole-3,4,5-triamine hydrobromide
Guanazin4H-1,2,4-Triazole-3,4,5-triamine--hydrogen bromide (1/1)NSC 79145GUANIZIN4-AMINOGUANAZOLEUNII-4O25P2N0XAGUANAZOLE, 4-AMINO-SCHEMBL373770
Database identifiers
- CAS
473-96-1- PubChem CID
- 96540
- DTXSID
DTXSID90197094- ChEMBL
CHEMBL2010372- UNII
- 4O25P2N0XA
- Nikkaji
- J12.550D
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.6
Physicochemical properties
- Melting point
- 269 · 269-271°C
- Boiling point
- 505.2 · 505.2±33.0 °C(Predicted)
- Density
- 2.45 · 2.45±0.1 g/cm3(Predicted)
- pka
- 5.63 · 5.63±0.10(Predicted)
- FDA UNII
- 4 O25P2N0XA · 4O25P2N0XA
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
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Compound notes
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