3-(1,3-Diphenyl-1H-pyrazol-4-yl)-1,6-dihydro-1,2,4-triazin-5(2H)-one
Basic information
- CAS
917947-76-3- Standard SMILES
O=C1CNN=C(c2cn(-c3ccccc3)nc2-c2ccccc2)N1- InChIKey
YNTKLOXCEXOEIU-UHFFFAOYSA-N- Molecular formula
- C18H15N5O
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.12766012
Names & identifiers
- Preferred name
- 3-(1,3-Diphenyl-1H-pyrazol-4-yl)-1,6-dihydro-1,2,4-triazin-5(2H)-one
- IUPAC
- 3-(1,3-diphenylpyrazol-4-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one
Names & synonyms
917947-76-3DTXSID508467383-(1,3-Diphenyl-1H-pyrazol-4-yl)-1,6-dihydro-1,2,4-triazin-5(2H)-one
Database identifiers
- CAS
917947-76-3- PubChem CID
- 136236705
- DTXSID
DTXSID50846738
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 482
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Compound notes
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