4-(4-Nitrophenyl)-6-prop-1-en-2-yl-1,3,5-triazin-2-amine
Basic information
- CAS
81854-85-5- Standard SMILES
C=C(C)c1nc(N)nc(-c2ccc([N+](=O)[O-])cc2)n1- InChIKey
VNTZHFRGHUNHKH-UHFFFAOYSA-N- Molecular formula
- C12H11N5O2
- Average molar mass
- 257.25 g/mol
- Monoisotopic mass
- 257.09127461
Names & identifiers
- Preferred name
- 4-(4-Nitrophenyl)-6-prop-1-en-2-yl-1,3,5-triazin-2-amine
- IUPAC
- 4-(4-nitrophenyl)-6-prop-1-en-2-yl-1,3,5-triazin-2-amine
Names & synonyms
81854-85-54-(4-nitrophenyl)-6-prop-1-en-2-yl-1,3,5-triazin-2-amineNSC363623DTXSID60320695NSC-3636234-(4-Nitrophenyl)-6-(prop-1-en-2-yl)-1,3,5-triazin-2-amine
Database identifiers
- CAS
81854-85-5- PubChem CID
- 338904
- DTXSID
DTXSID60320695
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
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Compound notes
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