5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole

C12H13N3S — CID 46483910

IUPAC5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole
SMILESc1ccc2c(c1)CCCC2Sc1ncn[nH]1
InChIInChI=1S/C12H13N3S/c1-2-6-10-9(4-1)5-3-7-11(10)16-12-13-8-14-15-12/h1-2,4,6,8,11H,3,5,7H2,(H,13,14,15)
InChIKeyGJYKIPDMYHRNRX-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.97
Rot. Bonds2

About 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole

5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole (PubChem CID 46483910) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole
PubChem CID46483910
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole
SMILESc1ccc2c(c1)CCCC2Sc1ncn[nH]1
InChIInChI=1S/C12H13N3S/c1-2-6-10-9(4-1)5-3-7-11(10)16-12-13-8-14-15-12/h1-2,4,6,8,11H,3,5,7H2,(H,13,14,15)
InChIKeyGJYKIPDMYHRNRX-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-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
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
5-(3-phenylpropylsulfonyl)-1H-1,2,4-triazole
CID 665060
3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine
CID 732057
3-(benzylsulfonyl)-1H-1,2,4-triazole
CID 12917976
3-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-1,2,4-triazole
CID 1490765
1H-1,2,4-Triazole, 5-[(phenylmethyl)sulfinyl]-
CID 44267296
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile
CID 728267

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole (CID 46483910) is 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole is c1ccc2c(c1)CCCC2Sc1ncn[nH]1.
What is the InChIKey of 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole?
The InChIKey is GJYKIPDMYHRNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-2-6-10-9(4-1)5-3-7-11(10)16-12-13-8-14-15-12/h1-2,4,6,8,11H,3,5,7H2,(H,13,14,15).
What are the key properties of 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole?
5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole has a molecular weight of 231.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole is sourced from PubChem (CID 46483910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).