3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine

C24H28N4O — CID 155966580

IUPAC3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine
SMILESc1cncc(Cc2nc(-c3cccc(C4CCCOC4)c3)n(C3CCCC3)n2)c1
InChIInChI=1S/C24H28N4O/c1-2-11-22(10-1)28-24(26-23(27-28)14-18-6-4-12-25-16-18)20-8-3-7-19(15-20)21-9-5-13-29-17-21/h3-4,6-8,12,15-16,21-22H,1-2,5,9-11,13-14,17H2
InChIKeyKGLXPOSWMZPVDD-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.94
Rot. Bonds5

About 3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine

3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine (PubChem CID 155966580) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine
PubChem CID155966580
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine
SMILESc1cncc(Cc2nc(-c3cccc(C4CCCOC4)c3)n(C3CCCC3)n2)c1
InChIInChI=1S/C24H28N4O/c1-2-11-22(10-1)28-24(26-23(27-28)14-18-6-4-12-25-16-18)20-8-3-7-19(15-20)21-9-5-13-29-17-21/h3-4,6-8,12,15-16,21-22H,1-2,5,9-11,13-14,17H2
InChIKeyKGLXPOSWMZPVDD-UHFFFAOYSA-N
XLogP4.94
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine?
The IUPAC name of 3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine (CID 155966580) is 3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine.
What is the SMILES notation for 3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine?
The canonical SMILES for 3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine is c1cncc(Cc2nc(-c3cccc(C4CCCOC4)c3)n(C3CCCC3)n2)c1.
What is the InChIKey of 3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine?
The InChIKey is KGLXPOSWMZPVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-2-11-22(10-1)28-24(26-23(27-28)14-18-6-4-12-25-16-18)20-8-3-7-19(15-20)21-9-5-13-29-17-21/h3-4,6-8,12,15-16,21-22H,1-2,5,9-11,13-14,17H2.
What are the key properties of 3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine?
3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine has a molecular weight of 388.52 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-cyclopentyl-5-[3-(oxan-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]pyridine is sourced from PubChem (CID 155966580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).