5-(p-Nitrophenylazo)-2,4,6-triaminopyrimidine
Basic information
- CAS
38522-19-9- Standard SMILES
Nc1nc(N)c(N=Nc2ccc([N+](=O)[O-])cc2)c(N)n1- InChIKey
YPEQJEXUPPTOKW-UHFFFAOYSA-N- Molecular formula
- C10H10N8O2
- Average molar mass
- 274.24 g/mol
- Monoisotopic mass
- 274.09267159
Names & identifiers
- Preferred name
- 5-(p-Nitrophenylazo)-2,4,6-triaminopyrimidine
- IUPAC
- 5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4,6-triamine
- English name
- 5-(4-nitrophenyl)diazenylpyrimidine-2,4,6-triamine
- Molecular formula
- C10H10N8O2
- Molecular weight
- 274.24
Names & synonyms
38522-19-9PY-84BRN 03163585-(p-Nitrophenylazo)-2,4,6-triaminopyrimidinePyrimidine, 5-(p-nitrophenylazo)-2,4,6-triamino-4-25-00-04669 (Beilstein Handbook Reference)SCHEMBL314219255-(4-NITROPHENYL)DIAZENYLPYRIMIDINE-2,4,6-TRIAMINEDB-263331
Database identifiers
- CAS
38522-19-9- PubChem CID
- 217307
- Nikkaji
- J86.943K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 692.662 · 692.662±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.814 · 1.814±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.979 · 4.979±0.10(predicted)
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Compound notes
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