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

C10H10N4 — CID 116989506

IUPAC3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile
SMILESCc1cccc2nc(CCC#N)nn12
InChIInChI=1S/C10H10N4/c1-8-4-2-6-10-12-9(5-3-7-11)13-14(8)10/h2,4,6H,3,5H2,1H3
InChIKeyAHFGYIQJLTWJCM-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.49
Rot. Bonds2

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

3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile (PubChem CID 116989506) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile
PubChem CID116989506
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile
SMILESCc1cccc2nc(CCC#N)nn12
InChIInChI=1S/C10H10N4/c1-8-4-2-6-10-12-9(5-3-7-11)13-14(8)10/h2,4,6H,3,5H2,1H3
InChIKeyAHFGYIQJLTWJCM-UHFFFAOYSA-N
XLogP1.49
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile?
The IUPAC name of 3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile (CID 116989506) is 3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile.
What is the SMILES notation for 3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile?
The canonical SMILES for 3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile is Cc1cccc2nc(CCC#N)nn12.
What is the InChIKey of 3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile?
The InChIKey is AHFGYIQJLTWJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-8-4-2-6-10-12-9(5-3-7-11)13-14(8)10/h2,4,6H,3,5H2,1H3.
What are the key properties of 3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile?
3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile has a molecular weight of 186.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile is sourced from PubChem (CID 116989506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).