N~2~-(3-Nitrophenyl)-6-(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine
Basic information
- CAS
66654-11-3- Standard SMILES
C=C(C)c1nc(N)nc(Nc2cccc([N+](=O)[O-])c2)n1- InChIKey
VKMHRACHMFRCMX-UHFFFAOYSA-N- Molecular formula
- C12H12N6O2
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.10217365
Names & identifiers
- Preferred name
- N~2~-(3-Nitrophenyl)-6-(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 2-N-(3-nitrophenyl)-6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine
Names & synonyms
66654-11-3DTXSID50497325N~2~-(3-Nitrophenyl)-6-(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
66654-11-3- PubChem CID
- 12417606
- DTXSID
DTXSID50497325
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
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Compound notes
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