3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile

C15H12N4O2 — CID 163318740

IUPAC3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile
SMILESCOc1cc(C#N)ccc1OCc1cccc2ncnn12
InChIInChI=1S/C15H12N4O2/c1-20-14-7-11(8-16)5-6-13(14)21-9-12-3-2-4-15-17-10-18-19(12)15/h2-7,10H,9H2,1H3
InChIKeyVCFOMUYJKXLGEF-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.19
Rot. Bonds4

About 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile

3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile (PubChem CID 163318740) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile
PubChem CID163318740
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile
SMILESCOc1cc(C#N)ccc1OCc1cccc2ncnn12
InChIInChI=1S/C15H12N4O2/c1-20-14-7-11(8-16)5-6-13(14)21-9-12-3-2-4-15-17-10-18-19(12)15/h2-7,10H,9H2,1H3
InChIKeyVCFOMUYJKXLGEF-UHFFFAOYSA-N
XLogP2.19
TPSA72.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517
4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile
CID 79239685
3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile
CID 17499743
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile
CID 43231298
4-[(4-cyano-2-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481463
4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
CID 2240004
3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
CID 122540683
4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
CID 117053030
3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile
CID 43646133
3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile
CID 102881171
4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
CID 103054689

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile?
The IUPAC name of 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile (CID 163318740) is 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile.
What is the SMILES notation for 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile?
The canonical SMILES for 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile is COc1cc(C#N)ccc1OCc1cccc2ncnn12.
What is the InChIKey of 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile?
The InChIKey is VCFOMUYJKXLGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-20-14-7-11(8-16)5-6-13(14)21-9-12-3-2-4-15-17-10-18-19(12)15/h2-7,10H,9H2,1H3.
What are the key properties of 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile?
3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile has a molecular weight of 280.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile is sourced from PubChem (CID 163318740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).