BENZOIC ACID, p-(((5,7-DIAMINOPYRIDO(3,4-b)PYRAZIN-3-YL)METHYL)METHYLAMINO)-
Basic information
- CAS
30768-54-8- Standard SMILES
CN(Cc1cnc2cc(N)nc(N)c2n1)c1ccc(C(=O)O)cc1- InChIKey
AZDSLPJHDVNQKL-UHFFFAOYSA-N- Molecular formula
- C16H16N6O2
- Average molar mass
- 324.34 g/mol
- Monoisotopic mass
- 324.13347377
Names & identifiers
- Preferred name
- BENZOIC ACID, p-(((5,7-DIAMINOPYRIDO(3,4-b)PYRAZIN-3-YL)METHYL)METHYLAMINO)-
- IUPAC
- 4-[(5,7-diaminopyrido[3,4-b]pyrazin-3-yl)methyl-methylamino]benzoic acid
Names & synonyms
30768-54-8BENZOIC ACID, p-(((5,7-DIAMINOPYRIDO(3,4-b)PYRAZIN-3-YL)METHYL)METHYLAMINO)-SRI 4736NSC 138447BRN 0841117Benzoic acid, 4-(((5,7-diaminopyrido(3,4-b)pyrazin-3-yl)methyl)methylamino)-p-(((5,7-Diaminopyrido(3,4-b)pyrazin-3-yl)methyl)methylamino)benzoic acidDTXSID90184782NSC138447NSC-138447DS-010446p-[[(5,4-b]pyrazin-3-yl)methyl]methylamino]benzoic acid
Show more names
Benzoic acid,7-diaminopyrido[3,4-b]pyrazin-3-yl)methyl]methylamino]-4-{[(5,7-diaminopyrido[3,4-b]pyrazin-3-yl)methyl](methyl)amino}benzoic acidBenzoic acid,4-[[(5,7-diaminopyrido[3,4-b]pyrazin-3-yl)methyl]methylamino]-
Database identifiers
- CAS
30768-54-8- PubChem CID
- 35457
- DTXSID
DTXSID90184782
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
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Compound notes
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