(4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone

C17H15N3O2S — CID 828565

IUPAC(4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2nc(-c3ccccc3)nc2SC)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-14-10-8-13(9-11-14)16(21)20-17(23-2)18-15(19-20)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyCCNUFKYNBAVEHI-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.36
Rot. Bonds4

About (4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone

(4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone (PubChem CID 828565) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is (4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone
PubChem CID828565
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name(4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2nc(-c3ccccc3)nc2SC)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-14-10-8-13(9-11-14)16(21)20-17(23-2)18-15(19-20)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyCCNUFKYNBAVEHI-UHFFFAOYSA-N
XLogP3.36
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 667741
5-(Furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 661020
2-{[5-(4-Ethoxyphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-1-phenylethan-1-one
CID 15991477
(5-Amino-3-p-tolyl-[1,2,4]triazol-1-yl)-(3,4-dimethoxy-phenyl)-methanone
CID 654458
1-benzoyl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
CID 753280
1-(4-methoxybenzoyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-ylamine
CID 753284
1-(3,4-dimethoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 975107
1-(2-furoyl)-3-(4-methoxyphenyl)-5-(methylthio)-1H-1,2,4-triazole
CID 976556
3-(2-furyl)-5-(methylthio)-1-(3-phenylpropanoyl)-1H-1,2,4-triazole
CID 976848
(3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl)-phenyl-methanone
CID 1088427
(Z)-5-(2-methoxybenzylidene)-2-(2-methoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
CID 1891621
N-[(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
CID 4048413

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone (CID 828565) is (4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone is COc1ccc(C(=O)n2nc(-c3ccccc3)nc2SC)cc1.
What is the InChIKey of (4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone?
The InChIKey is CCNUFKYNBAVEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-22-14-10-8-13(9-11-14)16(21)20-17(23-2)18-15(19-20)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of (4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone?
(4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone has a molecular weight of 325.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 828565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).