3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine

C19H17N5S — CID 2101107

IUPAC3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine
SMILESCSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)n1N
InChIInChI=1S/C19H17N5S/c1-12-7-9-13(10-8-12)17-11-15(14-5-3-4-6-16(14)21-17)18-22-23-19(25-2)24(18)20/h3-11H,20H2,1-2H3
InChIKeyXXAWFMGMMOSYOC-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.90
Rot. Bonds3

About 3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine

3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine (PubChem CID 2101107) has the molecular formula C19H17N5S and a molecular weight of 347.45 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine
PubChem CID2101107
Molecular FormulaC19H17N5S
Molecular Weight347.45 g/mol
Exact Mass347.12
IUPAC Name3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine
SMILESCSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)n1N
InChIInChI=1S/C19H17N5S/c1-12-7-9-13(10-8-12)17-11-15(14-5-3-4-6-16(14)21-17)18-22-23-19(25-2)24(18)20/h3-11H,20H2,1-2H3
InChIKeyXXAWFMGMMOSYOC-UHFFFAOYSA-N
XLogP3.90
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine 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-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)quinoline
CID 4786636
4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenylquinoline
CID 30695364
2-[[4-amino-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 2559147
2-[[4-amino-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-butan-2-ylacetamide
CID 11834475
3-[2-(3-bromophenoxy)ethylsulfanyl]-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-4-amine
CID 2119060
3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine
CID 869419
2-[[4-amino-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41001259
2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4509563
3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine
CID 47105910
N-carbamoyl-2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 16510288
2-[[4-phenyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 18290645
2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine
CID 35422865

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine (CID 2101107) is 3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine is CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)n1N.
What is the InChIKey of 3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine?
The InChIKey is XXAWFMGMMOSYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S/c1-12-7-9-13(10-8-12)17-11-15(14-5-3-4-6-16(14)21-17)18-22-23-19(25-2)24(18)20/h3-11H,20H2,1-2H3.
What are the key properties of 3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine?
3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine has a molecular weight of 347.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 2101107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).