3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride

C8H12ClN3O2 — CID 154832850

IUPAC3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride
SMILESCc1nnc2n1CCC(C(=O)O)C2.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-5-9-10-7-4-6(8(12)13)2-3-11(5)7;/h6H,2-4H2,1H3,(H,12,13);1H
InChIKeyAGJODZNNZBQFKW-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.66
Rot. Bonds1

About 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride

3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride (PubChem CID 154832850) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride
PubChem CID154832850
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride
SMILESCc1nnc2n1CCC(C(=O)O)C2.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-5-9-10-7-4-6(8(12)13)2-3-11(5)7;/h6H,2-4H2,1H3,(H,12,13);1H
InChIKeyAGJODZNNZBQFKW-UHFFFAOYSA-N
XLogP0.66
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-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-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride (CID 154832850) is 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride is Cc1nnc2n1CCC(C(=O)O)C2.Cl.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride?
The InChIKey is AGJODZNNZBQFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c1-5-9-10-7-4-6(8(12)13)2-3-11(5)7;/h6H,2-4H2,1H3,(H,12,13);1H.
What are the key properties of 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride?
3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 154832850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).