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

C17H15N5S — CID 44549080

IUPAC2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccccc2)nc1CSc1nc2ccccn2n1
InChIInChI=1S/C17H15N5S/c1-21-11-14(13-7-3-2-4-8-13)18-16(21)12-23-17-19-15-9-5-6-10-22(15)20-17/h2-11H,12H2,1H3
InChIKeyTTYKNXUXXPKQBV-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.42
Rot. Bonds4

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

2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 44549080) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID44549080
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccccc2)nc1CSc1nc2ccccn2n1
InChIInChI=1S/C17H15N5S/c1-21-11-14(13-7-3-2-4-8-13)18-16(21)12-23-17-19-15-9-5-6-10-22(15)20-17/h2-11H,12H2,1H3
InChIKeyTTYKNXUXXPKQBV-UHFFFAOYSA-N
XLogP3.42
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 44549080) is 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine is Cn1cc(-c2ccccc2)nc1CSc1nc2ccccn2n1.
What is the InChIKey of 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is TTYKNXUXXPKQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-21-11-14(13-7-3-2-4-8-13)18-16(21)12-23-17-19-15-9-5-6-10-22(15)20-17/h2-11H,12H2,1H3.
What are the key properties of 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 321.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 44549080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).