2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine

C20H18N4O — CID 72920462

IUPAC2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine
SMILESCc1cccnc1C(C)n1cc(-c2ccccc2-c2ccco2)nn1
InChIInChI=1S/C20H18N4O/c1-14-7-5-11-21-20(14)15(2)24-13-18(22-23-24)16-8-3-4-9-17(16)19-10-6-12-25-19/h3-13,15H,1-2H3
InChIKeySWJJECGTMVIQBB-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.52
Rot. Bonds4

About 2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine

2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine (PubChem CID 72920462) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine
PubChem CID72920462
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine
SMILESCc1cccnc1C(C)n1cc(-c2ccccc2-c2ccco2)nn1
InChIInChI=1S/C20H18N4O/c1-14-7-5-11-21-20(14)15(2)24-13-18(22-23-24)16-8-3-4-9-17(16)19-10-6-12-25-19/h3-13,15H,1-2H3
InChIKeySWJJECGTMVIQBB-UHFFFAOYSA-N
XLogP4.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine?
The IUPAC name of 2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine (CID 72920462) is 2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine?
The canonical SMILES for 2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine is Cc1cccnc1C(C)n1cc(-c2ccccc2-c2ccco2)nn1.
What is the InChIKey of 2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine?
The InChIKey is SWJJECGTMVIQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-7-5-11-21-20(14)15(2)24-13-18(22-23-24)16-8-3-4-9-17(16)19-10-6-12-25-19/h3-13,15H,1-2H3.
What are the key properties of 2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine?
2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine has a molecular weight of 330.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[2-(furan-2-yl)phenyl]triazol-1-yl]ethyl]-3-methylpyridine is sourced from PubChem (CID 72920462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).