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

C8H8ClN3O2 — CID 146075533

IUPAC3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride
SMILESCc1nnc2c(C(=O)O)cccn12.Cl
InChIInChI=1S/C8H7N3O2.ClH/c1-5-9-10-7-6(8(12)13)3-2-4-11(5)7;/h2-4H,1H3,(H,12,13);1H
InChIKeyBPUADBUERJBNDM-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.16
Rot. Bonds1

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

3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride (PubChem CID 146075533) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride
PubChem CID146075533
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride
SMILESCc1nnc2c(C(=O)O)cccn12.Cl
InChIInChI=1S/C8H7N3O2.ClH/c1-5-9-10-7-6(8(12)13)3-2-4-11(5)7;/h2-4H,1H3,(H,12,13);1H
InChIKeyBPUADBUERJBNDM-UHFFFAOYSA-N
XLogP1.16
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride?
The IUPAC name of 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride (CID 146075533) is 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride?
The canonical SMILES for 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride is Cc1nnc2c(C(=O)O)cccn12.Cl.
What is the InChIKey of 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride?
The InChIKey is BPUADBUERJBNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.ClH/c1-5-9-10-7-6(8(12)13)3-2-4-11(5)7;/h2-4H,1H3,(H,12,13);1H.
What are the key properties of 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride?
3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride has a molecular weight of 213.62 g/mol, XLogP of 1.16, 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;hydrochloride is sourced from PubChem (CID 146075533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).