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

C14H16N4S — CID 4581303

IUPAC3-(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole
SMILESCCCSc1nnc(-c2c[nH]c3ccccc23)n1C
InChIInChI=1S/C14H16N4S/c1-3-8-19-14-17-16-13(18(14)2)11-9-15-12-7-5-4-6-10(11)12/h4-7,9,15H,3,8H2,1-2H3
InChIKeyGJOMJSKCSPNLCE-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.47
Rot. Bonds4

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

3-(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole (PubChem CID 4581303) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 3-(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole.

Molecular Properties

Compound Name3-(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole
PubChem CID4581303
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name3-(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole
SMILESCCCSc1nnc(-c2c[nH]c3ccccc23)n1C
InChIInChI=1S/C14H16N4S/c1-3-8-19-14-17-16-13(18(14)2)11-9-15-12-7-5-4-6-10(11)12/h4-7,9,15H,3,8H2,1-2H3
InChIKeyGJOMJSKCSPNLCE-UHFFFAOYSA-N
XLogP3.47
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole?
The IUPAC name of 3-(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole (CID 4581303) is 3-(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole.
What is the SMILES notation for 3-(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole?
The canonical SMILES for 3-(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole is CCCSc1nnc(-c2c[nH]c3ccccc23)n1C.
What is the InChIKey of 3-(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole?
The InChIKey is GJOMJSKCSPNLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-3-8-19-14-17-16-13(18(14)2)11-9-15-12-7-5-4-6-10(11)12/h4-7,9,15H,3,8H2,1-2H3.
What are the key properties of 3-(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole?
3-(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole has a molecular weight of 272.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-1H-indole is sourced from PubChem (CID 4581303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).