4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile

C15H12N4O — CID 122540752

IUPAC4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESCOCc1cc(-c2ccc(C#N)cc2)n2ncnc2c1
InChIInChI=1S/C15H12N4O/c1-20-9-12-6-14(19-15(7-12)17-10-18-19)13-4-2-11(8-16)3-5-13/h2-7,10H,9H2,1H3
InChIKeyAYDGFDAMRGQULT-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.41
Rot. Bonds3

About 4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile

4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (PubChem CID 122540752) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
PubChem CID122540752
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESCOCc1cc(-c2ccc(C#N)cc2)n2ncnc2c1
InChIInChI=1S/C15H12N4O/c1-20-9-12-6-14(19-15(7-12)17-10-18-19)13-4-2-11(8-16)3-5-13/h2-7,10H,9H2,1H3
InChIKeyAYDGFDAMRGQULT-UHFFFAOYSA-N
XLogP2.41
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The IUPAC name of 4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (CID 122540752) is 4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The canonical SMILES for 4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is COCc1cc(-c2ccc(C#N)cc2)n2ncnc2c1.
What is the InChIKey of 4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The InChIKey is AYDGFDAMRGQULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-20-9-12-6-14(19-15(7-12)17-10-18-19)13-4-2-11(8-16)3-5-13/h2-7,10H,9H2,1H3.
What are the key properties of 4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 122540752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).