6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile

C17H11N5S — CID 18133014

IUPAC6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCc1cc2nnc(Sc3ccc(C#N)cn3)n2c2ccccc12
InChIInChI=1S/C17H11N5S/c1-11-8-15-20-21-17(22(15)14-5-3-2-4-13(11)14)23-16-7-6-12(9-18)10-19-16/h2-8,10H,1H3
InChIKeyFRAFLQPYIYEJES-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.61
Rot. Bonds2

About 6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile

6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile (PubChem CID 18133014) has the molecular formula C17H11N5S and a molecular weight of 317.38 g/mol. Its IUPAC name is 6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile
PubChem CID18133014
Molecular FormulaC17H11N5S
Molecular Weight317.38 g/mol
Exact Mass317.07
IUPAC Name6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCc1cc2nnc(Sc3ccc(C#N)cn3)n2c2ccccc12
InChIInChI=1S/C17H11N5S/c1-11-8-15-20-21-17(22(15)14-5-3-2-4-13(11)14)23-16-7-6-12(9-18)10-19-16/h2-8,10H,1H3
InChIKeyFRAFLQPYIYEJES-UHFFFAOYSA-N
XLogP3.61
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile (CID 18133014) is 6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile is Cc1cc2nnc(Sc3ccc(C#N)cn3)n2c2ccccc12.
What is the InChIKey of 6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile?
The InChIKey is FRAFLQPYIYEJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5S/c1-11-8-15-20-21-17(22(15)14-5-3-2-4-13(11)14)23-16-7-6-12(9-18)10-19-16/h2-8,10H,1H3.
What are the key properties of 6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile?
6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile has a molecular weight of 317.38 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 18133014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).