5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine

C19H19N5S — CID 66636041

IUPAC5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1cccc2nc(CSc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C19H19N5S/c1-3-15-10-7-11-18-21-17(22-24(15)18)13-25-19-20-16(12-23(19)2)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3
InChIKeyMSPYMYKJAGOPJM-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.98
Rot. Bonds5

About 5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine

5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 66636041) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID66636041
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1cccc2nc(CSc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C19H19N5S/c1-3-15-10-7-11-18-21-17(22-24(15)18)13-25-19-20-16(12-23(19)2)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3
InChIKeyMSPYMYKJAGOPJM-UHFFFAOYSA-N
XLogP3.98
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine 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 5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 66636041) is 5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine is CCc1cccc2nc(CSc3nc(-c4ccccc4)cn3C)nn12.
What is the InChIKey of 5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MSPYMYKJAGOPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-3-15-10-7-11-18-21-17(22-24(15)18)13-25-19-20-16(12-23(19)2)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3.
What are the key properties of 5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 349.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 66636041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).