1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole

C10H19N3S — CID 15019702

IUPAC1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole
SMILESCCCC(SC(C)(C)C)n1cncn1
InChIInChI=1S/C10H19N3S/c1-5-6-9(14-10(2,3)4)13-8-11-7-12-13/h7-9H,5-6H2,1-4H3
InChIKeyGHJJUKRHVJRNHP-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.11
Rot. Bonds4

About 1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole

1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole (PubChem CID 15019702) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole
PubChem CID15019702
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole
SMILESCCCC(SC(C)(C)C)n1cncn1
InChIInChI=1S/C10H19N3S/c1-5-6-9(14-10(2,3)4)13-8-11-7-12-13/h7-9H,5-6H2,1-4H3
InChIKeyGHJJUKRHVJRNHP-UHFFFAOYSA-N
XLogP3.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-tert-butylsulfanylbutyl)-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

1-Thietanyl-1,2,4-triazole
CID 167313425
1-(2-Methylsulfanylethyl)-1,2,4-triazole
CID 20727856
4-Butyl-3-ethylsulfanyl-1,2,4-triazole
CID 53762238
1-(1,2,4-Triazol-1-yl)butane-2-thiol
CID 57138668
1-[[(3R,4R)-4-propan-2-ylthian-3-yl]methyl]-1,2,4-triazole
CID 59088691
1-(1-Tert-butylsulfanyl-3-methylbutyl)-1,2,4-triazole
CID 70568399
1-Butyl-5-prop-2-ynylsulfanyl-1,2,4-triazole
CID 87394424
2-(2-Ethylsulfanylbutan-2-ylsulfanyl)-2-(1,2,4-triazol-1-yl)acetonitrile
CID 88674486
1-Cyclohexyl-5-hexylsulfanyl-1,2,4-triazole
CID 91286052
1-(1-Methylsulfanylbutyl)-1,2,4-triazole
CID 123549552
1-Butyl-5-methylsulfanyl-1,2,4-triazole
CID 123915187
1-(1-Ethylsulfanylethyl)-1,2,4-triazole
CID 126581838

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole?
The IUPAC name of 1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole (CID 15019702) is 1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole.
What is the SMILES notation for 1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole?
The canonical SMILES for 1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole is CCCC(SC(C)(C)C)n1cncn1.
What is the InChIKey of 1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole?
The InChIKey is GHJJUKRHVJRNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-5-6-9(14-10(2,3)4)13-8-11-7-12-13/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole?
1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole has a molecular weight of 213.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylsulfanylbutyl)-1,2,4-triazole is sourced from PubChem (CID 15019702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).