6-[4-(1,2,3-Benzotriazin-4-ylamino)phenyl]-1,3,5-triazine-2,4-diamine
Basic information
- CAS
35107-31-4- Standard SMILES
Nc1nc(N)nc(-c2ccc(Nc3nnnc4ccccc34)cc2)n1- InChIKey
DWTVZEBUZGANTF-UHFFFAOYSA-N- Molecular formula
- C16H13N9
- Average molar mass
- 331.33 g/mol
- Monoisotopic mass
- 331.12939145
Names & identifiers
- Preferred name
- 6-[4-(1,2,3-Benzotriazin-4-ylamino)phenyl]-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-[4-(1,2,3-benzotriazin-4-ylamino)phenyl]-1,3,5-triazine-2,4-diamine
Names & synonyms
35107-31-4NSC146520DTXSID90956542NSC-146520N-[4-(4,6-Diimino-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,2,3-benzotriazin-4-amine
Database identifiers
- CAS
35107-31-4- PubChem CID
- 287115
- DTXSID
DTXSID90956542
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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