Basic information
- CAS
2878-04-8- Standard SMILES
Nc1nc(N)c(N=Nc2ccc(C(=O)O)cc2)c(N)n1- InChIKey
KJXBXATYKAWGBL-UHFFFAOYSA-N- Molecular formula
- C11H11N7O2
- Average molar mass
- 273.25 g/mol
- Monoisotopic mass
- 273.09742262
Overview
4-[(2,4,6-triamino-5-pyrimidinyl)azo]benzoic acid is a member of benzoic acids.
Names & identifiers
- Preferred name
- 4-(2-(2,4,6-Triaminopyrimidin-5-yl)diazen-1-yl)benzoic acid
- IUPAC
- 4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzoic acid
Names & synonyms
NSC-408734H8JS744ETM4-[2-(2,4,6-triaminopyrimidin-5-yl)diazen-1-yl]benzoic acid4-(2-(2,4,6-Triaminopyrimidin-5-yl)diazen-1-yl)benzoic acidRefChem:10697702878-04-8MLS000757199CHEMBL4083833BENZOIC ACID, p-((2,4,6-TRIAMINO-5-PYRIMIDINYL)AZO)-p-((2,4,6-Triamino-5-pyrimidinyl)azo)benzoic acidPY-74NSC408734
Show more names
NSC 4087344-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzoic acidBRN 0301734CHEMBL1364266SCHEMBL15014076CHEBI:120606HMS2884J03BDBM50269650
Database identifiers
- CAS
2878-04-8- PubChem CID
- 17893
- ChEMBL
CHEMBL1364266、CHEMBL4083833- ChEBI
CHEBI:120606- UNII
- H8JS744ETM
- Nikkaji
- J87.846D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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