2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

C17H17N5O — CID 67259230

IUPAC2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C)n2nc(CCc3cnc(-c4ccoc4)[nH]3)nc12
InChIInChI=1S/C17H17N5O/c1-11-3-4-12(2)22-17(11)20-15(21-22)6-5-14-9-18-16(19-14)13-7-8-23-10-13/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)
InChIKeyINORLYXGFZCQHA-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.11
Rot. Bonds4

About 2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 67259230) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID67259230
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C)n2nc(CCc3cnc(-c4ccoc4)[nH]3)nc12
InChIInChI=1S/C17H17N5O/c1-11-3-4-12(2)22-17(11)20-15(21-22)6-5-14-9-18-16(19-14)13-7-8-23-10-13/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)
InChIKeyINORLYXGFZCQHA-UHFFFAOYSA-N
XLogP3.11
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 67259230) is 2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(C)n2nc(CCc3cnc(-c4ccoc4)[nH]3)nc12.
What is the InChIKey of 2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is INORLYXGFZCQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-3-4-12(2)22-17(11)20-15(21-22)6-5-14-9-18-16(19-14)13-7-8-23-10-13/h3-4,7-10H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 307.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(furan-3-yl)-1H-imidazol-5-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 67259230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).