3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile

C14H10N4 — CID 122540683

IUPAC3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
SMILESCc1cc(C#N)ccc1-c1cccc2ncnn12
InChIInChI=1S/C14H10N4/c1-10-7-11(8-15)5-6-12(10)13-3-2-4-14-16-9-17-18(13)14/h2-7,9H,1H3
InChIKeyURBXKEHMAICHMQ-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.58
Rot. Bonds1

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

3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile (PubChem CID 122540683) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
PubChem CID122540683
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
SMILESCc1cc(C#N)ccc1-c1cccc2ncnn12
InChIInChI=1S/C14H10N4/c1-10-7-11(8-15)5-6-12(10)13-3-2-4-14-16-9-17-18(13)14/h2-7,9H,1H3
InChIKeyURBXKEHMAICHMQ-UHFFFAOYSA-N
XLogP2.58
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The IUPAC name of 3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile (CID 122540683) is 3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The canonical SMILES for 3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile is Cc1cc(C#N)ccc1-c1cccc2ncnn12.
What is the InChIKey of 3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The InChIKey is URBXKEHMAICHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-10-7-11(8-15)5-6-12(10)13-3-2-4-14-16-9-17-18(13)14/h2-7,9H,1H3.
What are the key properties of 3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 122540683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).