1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl-
Basic information
- CAS
78831-00-2- Standard SMILES
O=C1NCC(c2ccccc2)=NN1- InChIKey
LWMREWHCHKZSDF-UHFFFAOYSA-N- Molecular formula
- C9H9N3O
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.07456192
Names & identifiers
- Preferred name
- 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl-
- IUPAC
- 6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one
- English name
- 6-Phenyl-2,3,4,5-Tetrahydro-1,2,4-Triazin-3-One
- Molecular formula
- C9H9N3O
- Molecular weight
- 175.19
Names & synonyms
78831-00-21,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl-DTXSID70354623RefChem:214980DTXCID003056836-Phenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one6-Phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-one6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-oneMFCD01088874SCHEMBL7317752AKOS027255651SB73393
Show more names
6-Phenyl-2,3,4,5-Tetrahydro-1,2,4-Triazin-3-One(WXC00049)
AS-67011SY126795CS-0037449hydroxy-6-phenyl-4,5-dihydro-1,2,4-triazineW10750
Database identifiers
- CAS
78831-00-2- PubChem CID
- 777119
- DTXSID
DTXSID70354623
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 225 · 225-226 °C
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 11.57 · 11.57±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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