2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine

C19H19N5S — CID 44547073

IUPAC2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)n1cc(-c2ccccc2)nc1CSc1nc2ccccn2n1
InChIInChI=1S/C19H19N5S/c1-14(2)23-12-16(15-8-4-3-5-9-15)20-18(23)13-25-19-21-17-10-6-7-11-24(17)22-19/h3-12,14H,13H2,1-2H3
InChIKeyANYFIMBPTXYTOK-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.47
Rot. Bonds5

About 2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine

2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 44547073) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID44547073
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)n1cc(-c2ccccc2)nc1CSc1nc2ccccn2n1
InChIInChI=1S/C19H19N5S/c1-14(2)23-12-16(15-8-4-3-5-9-15)20-18(23)13-25-19-21-17-10-6-7-11-24(17)22-19/h3-12,14H,13H2,1-2H3
InChIKeyANYFIMBPTXYTOK-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 44547073) is 2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine is CC(C)n1cc(-c2ccccc2)nc1CSc1nc2ccccn2n1.
What is the InChIKey of 2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ANYFIMBPTXYTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-14(2)23-12-16(15-8-4-3-5-9-15)20-18(23)13-25-19-21-17-10-6-7-11-24(17)22-19/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 349.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-1-propan-2-ylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 44547073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).