2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine

C16H17N5O — CID 46882214

IUPAC2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESCC(C)COc1ccc(-c2n[nH]c(-c3ccncc3)n2)cn1
InChIInChI=1S/C16H17N5O/c1-11(2)10-22-14-4-3-13(9-18-14)16-19-15(20-21-16)12-5-7-17-8-6-12/h3-9,11H,10H2,1-2H3,(H,19,20,21)
InChIKeyJBNKDLSXXFKNCX-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine

2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 46882214) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
PubChem CID46882214
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESCC(C)COc1ccc(-c2n[nH]c(-c3ccncc3)n2)cn1
InChIInChI=1S/C16H17N5O/c1-11(2)10-22-14-4-3-13(9-18-14)16-19-15(20-21-16)12-5-7-17-8-6-12/h3-9,11H,10H2,1-2H3,(H,19,20,21)
InChIKeyJBNKDLSXXFKNCX-UHFFFAOYSA-N
XLogP2.96
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine (CID 46882214) is 2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine is CC(C)COc1ccc(-c2n[nH]c(-c3ccncc3)n2)cn1.
What is the InChIKey of 2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The InChIKey is JBNKDLSXXFKNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11(2)10-22-14-4-3-13(9-18-14)16-19-15(20-21-16)12-5-7-17-8-6-12/h3-9,11H,10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine has a molecular weight of 295.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 46882214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).