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

C18H17N5S — CID 44547070

IUPAC2-[(1-ethyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCn1cc(-c2ccccc2)nc1CSc1nc2ccccn2n1
InChIInChI=1S/C18H17N5S/c1-2-22-12-15(14-8-4-3-5-9-14)19-17(22)13-24-18-20-16-10-6-7-11-23(16)21-18/h3-12H,2,13H2,1H3
InChIKeyRUIBJBZHPLPNKA-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.90
Rot. Bonds5

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

2-[(1-ethyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 44547070) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 2-[(1-ethyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[(1-ethyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID44547070
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name2-[(1-ethyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCn1cc(-c2ccccc2)nc1CSc1nc2ccccn2n1
InChIInChI=1S/C18H17N5S/c1-2-22-12-15(14-8-4-3-5-9-14)19-17(22)13-24-18-20-16-10-6-7-11-23(16)21-18/h3-12H,2,13H2,1H3
InChIKeyRUIBJBZHPLPNKA-UHFFFAOYSA-N
XLogP3.90
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[(1-ethyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 44547070) is 2-[(1-ethyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[(1-ethyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[(1-ethyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine is CCn1cc(-c2ccccc2)nc1CSc1nc2ccccn2n1.
What is the InChIKey of 2-[(1-ethyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RUIBJBZHPLPNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S/c1-2-22-12-15(14-8-4-3-5-9-14)19-17(22)13-24-18-20-16-10-6-7-11-23(16)21-18/h3-12H,2,13H2,1H3.
What are the key properties of 2-[(1-ethyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
2-[(1-ethyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 335.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 44547070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).