1,2,4-Triazolo(3,4-a)phthalazin-3(2H)-one, 2-(4-nitrophenyl)-
Basic information
- CAS
124569-77-3- Standard SMILES
O=c1n(-c2ccc([N+](=O)[O-])cc2)nc2c3ccccc3cnn12- InChIKey
FTPUWLCLQKPVPT-UHFFFAOYSA-N- Molecular formula
- C15H9N5O3
- Average molar mass
- 307.26 g/mol
- Monoisotopic mass
- 307.07053917
Names & identifiers
- Preferred name
- 1,2,4-Triazolo(3,4-a)phthalazin-3(2H)-one, 2-(4-nitrophenyl)-
- IUPAC
- 2-(4-nitrophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one
Names & synonyms
1,2,4-Triazolo(3,4-a)phthalazin-3(2H)-one, 2-(4-nitrophenyl)-2-(4-Nitrophenyl)-1,2,4-triazolo(3,4-a)phthalazin-3(2H)-one124569-77-3DTXSID00154436RefChem:215096DTXCID90769272-(4-Nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3(2H)-one
Database identifiers
- CAS
124569-77-3- PubChem CID
- 3079201
- DTXSID
DTXSID00154436
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 576
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Compound notes
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