3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C17H20N6S — CID 146091931

IUPAC3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(CSc2ncn(Cc3nnc4n3CCCC4)n2)cc1
InChIInChI=1S/C17H20N6S/c1-13-5-7-14(8-6-13)11-24-17-18-12-22(21-17)10-16-20-19-15-4-2-3-9-23(15)16/h5-8,12H,2-4,9-11H2,1H3
InChIKeyMQTWMYPPGUXJLC-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.85
Rot. Bonds5

About 3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 146091931) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID146091931
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(CSc2ncn(Cc3nnc4n3CCCC4)n2)cc1
InChIInChI=1S/C17H20N6S/c1-13-5-7-14(8-6-13)11-24-17-18-12-22(21-17)10-16-20-19-15-4-2-3-9-23(15)16/h5-8,12H,2-4,9-11H2,1H3
InChIKeyMQTWMYPPGUXJLC-UHFFFAOYSA-N
XLogP2.85
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine 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-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylsulfanyl)aniline
CID 107078031
3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 71833016
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methylaniline
CID 54920883
3-[(3,5-dimethylpyrazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 113220710
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylsulfanyl)aniline
CID 107077985
2-(4-methylphenyl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 47017167
3-[(4-ethylphenoxy)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 7566122
N-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylsulfanyl)phenyl]methyl]ethanamine
CID 107078766
4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanylmethyl)pyridin-2-amine
CID 62467129
3-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 138038766
3-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 167772878
3-benzyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 657668

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 146091931) is 3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc(CSc2ncn(Cc3nnc4n3CCCC4)n2)cc1.
What is the InChIKey of 3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MQTWMYPPGUXJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-13-5-7-14(8-6-13)11-24-17-18-12-22(21-17)10-16-20-19-15-4-2-3-9-23(15)16/h5-8,12H,2-4,9-11H2,1H3.
What are the key properties of 3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 340.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 146091931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).