8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile

C8H6N4 — CID 116989824

IUPAC8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile
SMILESCc1cccn2nc(C#N)nc12
InChIInChI=1S/C8H6N4/c1-6-3-2-4-12-8(6)10-7(5-9)11-12/h2-4H,1H3
InChIKeyKKBVPSNKBYBGGT-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.91
Rot. Bonds

About 8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile

8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile (PubChem CID 116989824) has the molecular formula C8H6N4 and a molecular weight of 158.16 g/mol. Its IUPAC name is 8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile.

Molecular Properties

Compound Name8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile
PubChem CID116989824
Molecular FormulaC8H6N4
Molecular Weight158.16 g/mol
Exact Mass158.06
IUPAC Name8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile
SMILESCc1cccn2nc(C#N)nc12
InChIInChI=1S/C8H6N4/c1-6-3-2-4-12-8(6)10-7(5-9)11-12/h2-4H,1H3
InChIKeyKKBVPSNKBYBGGT-UHFFFAOYSA-N
XLogP0.91
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile?
The IUPAC name of 8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile (CID 116989824) is 8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile.
What is the SMILES notation for 8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile?
The canonical SMILES for 8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile is Cc1cccn2nc(C#N)nc12.
What is the InChIKey of 8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile?
The InChIKey is KKBVPSNKBYBGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4/c1-6-3-2-4-12-8(6)10-7(5-9)11-12/h2-4H,1H3.
What are the key properties of 8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile?
8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile has a molecular weight of 158.16 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile is sourced from PubChem (CID 116989824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).