1H-1,3,5-benzotriazepine-2,4-diamine
Basic information
- CAS
61911-80-6- Standard SMILES
NC1=Nc2ccccc2NC(N)=N1- InChIKey
UOSCIXCJLYKUGU-UHFFFAOYSA-N- Molecular formula
- C8H9N5
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.08579531
Names & identifiers
- Preferred name
- 1H-1,3,5-benzotriazepine-2,4-diamine
- IUPAC
- 1H-1,3,5-benzotriazepine-2,4-diamine
Names & synonyms
1H-1,3,5-benzotriazepine-2,4-diamine61911-80-6DTXSID80392692
Database identifiers
- CAS
61911-80-6- PubChem CID
- 3460652
- DTXSID
DTXSID80392692
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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