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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-methyl-4-(4-(3-(piperidin-1-yl)propoxy)phenyl)-4H-1,2,4-triazol-3-yl)pyridine
CID 71712245
2-isobutoxy-5-(5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl)benzonitrile
CID 9905684
2-isobutoxy-5-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)benzonitrile
CID 12991050
3-phenylmethoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 137655381
3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine
CID 155230299
4-methoxy-3-(1H-1,2,4-triazol-3-yl)-2-pyridinyl phenyl ether
CID 1488697
4-(3-(6-isobutoxypyridin-3-yl)-1H-1,2,4-triazol-5-yl)-2-methylpyridine
CID 46882215
4-(3-(6-isobutoxypyridin-3-yl)-1H-1,2,4-triazol-5-yl)picolinonitrile
CID 46882216
2-isobutoxy-4-(3-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-5-yl)pyridine
CID 46882290
4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
CID 46882292
6-ethyl-3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 162645595
6-ethenyl-3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 162646900

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).