3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole

C13H11ClN4S — CID 166917687

IUPAC3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole
SMILESCSc1nc(Cl)nc(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C13H11ClN4S/c1-18-7-9(8-5-3-4-6-10(8)18)11-15-12(14)17-13(16-11)19-2/h3-7H,1-2H3
InChIKeyQAXSIQMHDWLNQD-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.41
Rot. Bonds2

About 3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole

3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole (PubChem CID 166917687) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is 3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole.

Molecular Properties

Compound Name3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole
PubChem CID166917687
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC Name3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole
SMILESCSc1nc(Cl)nc(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C13H11ClN4S/c1-18-7-9(8-5-3-4-6-10(8)18)11-15-12(14)17-13(16-11)19-2/h3-7H,1-2H3
InChIKeyQAXSIQMHDWLNQD-UHFFFAOYSA-N
XLogP3.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole?
The IUPAC name of 3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole (CID 166917687) is 3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole.
What is the SMILES notation for 3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole?
The canonical SMILES for 3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole is CSc1nc(Cl)nc(-c2cn(C)c3ccccc23)n1.
What is the InChIKey of 3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole?
The InChIKey is QAXSIQMHDWLNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/c1-18-7-9(8-5-3-4-6-10(8)18)11-15-12(14)17-13(16-11)19-2/h3-7H,1-2H3.
What are the key properties of 3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole?
3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole has a molecular weight of 290.78 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole is sourced from PubChem (CID 166917687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).