3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one

C15H12ClN3O — CID 625219

IUPAC3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESO=C1NNC(c2ccc(Cl)cc2)=NC1c1ccccc1
InChIInChI=1S/C15H12ClN3O/c16-12-8-6-11(7-9-12)14-17-13(15(20)19-18-14)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)(H,19,20)
InChIKeySYMTYYWKWANFBB-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.46
Rot. Bonds2

About 3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one

3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one (PubChem CID 625219) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one
PubChem CID625219
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESO=C1NNC(c2ccc(Cl)cc2)=NC1c1ccccc1
InChIInChI=1S/C15H12ClN3O/c16-12-8-6-11(7-9-12)14-17-13(15(20)19-18-14)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)(H,19,20)
InChIKeySYMTYYWKWANFBB-UHFFFAOYSA-N
XLogP2.46
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129197599
4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione
CID 12830729
5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 69455524
5-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-4-deuterio-4-phenyl-3H-pyrazole
CID 175807875
methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 13276669
4-[(3S)-5-(4-chlorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 7039652
3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one
CID 14147794
6-oxo-2,4-diphenyl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid
CID 100975270
3-(3-chlorophenyl)-4-(4-chlorophenyl)-3H-pyridine-2,6-dione
CID 14293688
4-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-one
CID 71698156
(2R,5S,6S)-2,4-bis(4-chlorophenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 100890969
(2R,5R,6S)-2,4-bis(4-chlorophenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 98134325

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one (CID 625219) is 3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one is O=C1NNC(c2ccc(Cl)cc2)=NC1c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one?
The InChIKey is SYMTYYWKWANFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-12-8-6-11(7-9-12)14-17-13(15(20)19-18-14)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one?
3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one has a molecular weight of 285.73 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 625219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).