2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

C18H19N5O — CID 71059474

IUPAC2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C)n2nc(CCc3cn(C)c(-c4ccco4)n3)nc12
InChIInChI=1S/C18H19N5O/c1-12-6-7-13(2)23-17(12)20-16(21-23)9-8-14-11-22(3)18(19-14)15-5-4-10-24-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyZEKXPTCXLWJOKO-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.12
Rot. Bonds4

About 2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 71059474) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID71059474
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C)n2nc(CCc3cn(C)c(-c4ccco4)n3)nc12
InChIInChI=1S/C18H19N5O/c1-12-6-7-13(2)23-17(12)20-16(21-23)9-8-14-11-22(3)18(19-14)15-5-4-10-24-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyZEKXPTCXLWJOKO-UHFFFAOYSA-N
XLogP3.12
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 71059474) is 2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(C)n2nc(CCc3cn(C)c(-c4ccco4)n3)nc12.
What is the InChIKey of 2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ZEKXPTCXLWJOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-6-7-13(2)23-17(12)20-16(21-23)9-8-14-11-22(3)18(19-14)15-5-4-10-24-15/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 321.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(furan-2-yl)-1-methylimidazol-4-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 71059474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).