3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole

C15H18N4S — CID 5065924

IUPAC3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole
SMILESCCCSc1nnc(-c2c[nH]c3ccccc23)n1CC
InChIInChI=1S/C15H18N4S/c1-3-9-20-15-18-17-14(19(15)4-2)12-10-16-13-8-6-5-7-11(12)13/h5-8,10,16H,3-4,9H2,1-2H3
InChIKeyQDTPGVCDBBNWRG-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.95
Rot. Bonds5

About 3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole

3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole (PubChem CID 5065924) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole.

Molecular Properties

Compound Name3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole
PubChem CID5065924
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole
SMILESCCCSc1nnc(-c2c[nH]c3ccccc23)n1CC
InChIInChI=1S/C15H18N4S/c1-3-9-20-15-18-17-14(19(15)4-2)12-10-16-13-8-6-5-7-11(12)13/h5-8,10,16H,3-4,9H2,1-2H3
InChIKeyQDTPGVCDBBNWRG-UHFFFAOYSA-N
XLogP3.95
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole?
The IUPAC name of 3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole (CID 5065924) is 3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole.
What is the SMILES notation for 3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole?
The canonical SMILES for 3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole is CCCSc1nnc(-c2c[nH]c3ccccc23)n1CC.
What is the InChIKey of 3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole?
The InChIKey is QDTPGVCDBBNWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-3-9-20-15-18-17-14(19(15)4-2)12-10-16-13-8-6-5-7-11(12)13/h5-8,10,16H,3-4,9H2,1-2H3.
What are the key properties of 3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole?
3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole has a molecular weight of 286.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole is sourced from PubChem (CID 5065924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).