6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C17H14N4 — CID 166340485

IUPAC6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cc(-n2cccc2)ccc1-c1ccc2nncn2c1
InChIInChI=1S/C17H14N4/c1-13-10-15(20-8-2-3-9-20)5-6-16(13)14-4-7-17-19-18-12-21(17)11-14/h2-12H,1H3
InChIKeyKEFZGVAMIPVEFI-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.50
Rot. Bonds2

About 6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 166340485) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID166340485
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cc(-n2cccc2)ccc1-c1ccc2nncn2c1
InChIInChI=1S/C17H14N4/c1-13-10-15(20-8-2-3-9-20)5-6-16(13)14-4-7-17-19-18-12-21(17)11-14/h2-12H,1H3
InChIKeyKEFZGVAMIPVEFI-UHFFFAOYSA-N
XLogP3.50
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 166340485) is 6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1cc(-n2cccc2)ccc1-c1ccc2nncn2c1.
What is the InChIKey of 6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KEFZGVAMIPVEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-13-10-15(20-8-2-3-9-20)5-6-16(13)14-4-7-17-19-18-12-21(17)11-14/h2-12H,1H3.
What are the key properties of 6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 274.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-4-pyrrol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 166340485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).