1-Methyl-3,5-diphenyl-1,2,5,6-tetrahydro-1,2,4-triazine
Basic information
- CAS
14079-63-1- Standard SMILES
CN1CC(c2ccccc2)N=C(c2ccccc2)N1- InChIKey
NMVKXWVCWDQWOV-UHFFFAOYSA-N- Molecular formula
- C16H17N3
- Average molar mass
- 251.33 g/mol
- Monoisotopic mass
- 251.14224756
Names & identifiers
- Preferred name
- 1-Methyl-3,5-diphenyl-1,2,5,6-tetrahydro-1,2,4-triazine
- IUPAC
- 1-methyl-3,5-diphenyl-5,6-dihydro-2H-1,2,4-triazine
Names & synonyms
14079-63-1DTXSID109309201-Methyl-3,5-diphenyl-1,2,5,6-tetrahydro-1,2,4-triazineRefChem:1055772DTXCID901359639BRN 06161681,4,5,6-Tetrahydro-3,5-diphenyl-1-methyl-as-triazineas-Triazine, 1,4,5,6-tetrahydro-3,5-diphenyl-1-methyl-
Database identifiers
- CAS
14079-63-1- PubChem CID
- 203249
- DTXSID
DTXSID10930920
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
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Compound notes
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