3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

C8H7N3O2 — CID 16767501

IUPAC3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCc1nnc2c(C(=O)O)cccn12
InChIInChI=1S/C8H7N3O2/c1-5-9-10-7-6(8(12)13)3-2-4-11(5)7/h2-4H,1H3,(H,12,13)
InChIKeyVNDVVNLWDIPHAN-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.74
Rot. Bonds1

About 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 16767501) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID16767501
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCc1nnc2c(C(=O)O)cccn12
InChIInChI=1S/C8H7N3O2/c1-5-9-10-7-6(8(12)13)3-2-4-11(5)7/h2-4H,1H3,(H,12,13)
InChIKeyVNDVVNLWDIPHAN-UHFFFAOYSA-N
XLogP0.74
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 16767501) is 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is Cc1nnc2c(C(=O)O)cccn12.
What is the InChIKey of 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is VNDVVNLWDIPHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-5-9-10-7-6(8(12)13)3-2-4-11(5)7/h2-4H,1H3,(H,12,13).
What are the key properties of 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 16767501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).