6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one

C23H22N4O — CID 50964388

IUPAC6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one
SMILESCc1cccc(-n2nc(CCc3ccccc3)nc2-c2cc(C)[nH]c(=O)c2)c1
InChIInChI=1S/C23H22N4O/c1-16-7-6-10-20(13-16)27-23(19-14-17(2)24-22(28)15-19)25-21(26-27)12-11-18-8-4-3-5-9-18/h3-10,13-15H,11-12H2,1-2H3,(H,24,28)
InChIKeyHATFSUGCCVEAIO-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.02
Rot. Bonds5

About 6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one

6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one (PubChem CID 50964388) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one
PubChem CID50964388
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one
SMILESCc1cccc(-n2nc(CCc3ccccc3)nc2-c2cc(C)[nH]c(=O)c2)c1
InChIInChI=1S/C23H22N4O/c1-16-7-6-10-20(13-16)27-23(19-14-17(2)24-22(28)15-19)25-21(26-27)12-11-18-8-4-3-5-9-18/h3-10,13-15H,11-12H2,1-2H3,(H,24,28)
InChIKeyHATFSUGCCVEAIO-UHFFFAOYSA-N
XLogP4.02
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 130289066
5-(2-aminoethyl)-2-(3-methylphenyl)-4H-1,2,4-triazol-3-one
CID 136999513
N-benzyl-1-(3-methylphenyl)-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693124
N-(3-imidazol-1-ylpropyl)-1-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42881037
1-[2-[2-(3-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione
CID 50969767
N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692756
1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 136701520
1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid
CID 94962316
1-(3-methylphenyl)-N-(2-methylpropyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692739
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928
1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 13292301

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one (CID 50964388) is 6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one is Cc1cccc(-n2nc(CCc3ccccc3)nc2-c2cc(C)[nH]c(=O)c2)c1.
What is the InChIKey of 6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The InChIKey is HATFSUGCCVEAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-7-6-10-20(13-16)27-23(19-14-17(2)24-22(28)15-19)25-21(26-27)12-11-18-8-4-3-5-9-18/h3-10,13-15H,11-12H2,1-2H3,(H,24,28).
What are the key properties of 6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one has a molecular weight of 370.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 50964388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).