5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole

C13H11N3S — CID 719016

IUPAC5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole
SMILESc1ccc2c(CSc3ncn[nH]3)cccc2c1
InChIInChI=1S/C13H11N3S/c1-2-7-12-10(4-1)5-3-6-11(12)8-17-13-14-9-15-16-13/h1-7,9H,8H2,(H,14,15,16)
InChIKeyULTUFXIBAOPILK-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.25
Rot. Bonds3

About 5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole

5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole (PubChem CID 719016) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole
PubChem CID719016
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole
SMILESc1ccc2c(CSc3ncn[nH]3)cccc2c1
InChIInChI=1S/C13H11N3S/c1-2-7-12-10(4-1)5-3-6-11(12)8-17-13-14-9-15-16-13/h1-7,9H,8H2,(H,14,15,16)
InChIKeyULTUFXIBAOPILK-UHFFFAOYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole 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

3-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole
CID 719014
3-benzylthio-1H-1,2,4-triazole
CID 706536
1-Methyl-5-(naphthylmethylthio)-1,2,3,4-tetraazole
CID 2630172
2-Fluorobenzyl 1H-1,2,4-triazol-3-yl sulfide
CID 573296
3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide
CID 675234
Sbb040972
CID 719019
3-[(2-Methylbenzyl)sulfanyl]-4h-1,2,4-Triazol-4-Amine
CID 731925
3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine
CID 732057
3-[(4-Fluoronaphthalen-1-yl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 777683
3-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-1,2,4-triazole
CID 1490765
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile
CID 728267
5-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 2921228

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole (CID 719016) is 5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole is c1ccc2c(CSc3ncn[nH]3)cccc2c1.
What is the InChIKey of 5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole?
The InChIKey is ULTUFXIBAOPILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-7-12-10(4-1)5-3-6-11(12)8-17-13-14-9-15-16-13/h1-7,9H,8H2,(H,14,15,16).
What are the key properties of 5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole?
5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole has a molecular weight of 241.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole is sourced from PubChem (CID 719016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).