[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride

C7H6ClN3O2 — CID 146082231

IUPAC[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccn2cnnc2c1
InChIInChI=1S/C7H5N3O2.ClH/c11-7(12)5-1-2-10-4-8-9-6(10)3-5;/h1-4H,(H,11,12);1H
InChIKeyYHMHDQMLVOGIEE-UHFFFAOYSA-N
MW199.60 g/mol
LogP0.85
Rot. Bonds1

About [1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride

[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride (PubChem CID 146082231) has the molecular formula C7H6ClN3O2 and a molecular weight of 199.60 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride
PubChem CID146082231
Molecular FormulaC7H6ClN3O2
Molecular Weight199.60 g/mol
Exact Mass199.01
IUPAC Name[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccn2cnnc2c1
InChIInChI=1S/C7H5N3O2.ClH/c11-7(12)5-1-2-10-4-8-9-6(10)3-5;/h1-4H,(H,11,12);1H
InChIKeyYHMHDQMLVOGIEE-UHFFFAOYSA-N
XLogP0.85
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.60
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride?
The IUPAC name of [1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride (CID 146082231) is [1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride.
What is the SMILES notation for [1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride?
The canonical SMILES for [1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccn2cnnc2c1.
What is the InChIKey of [1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride?
The InChIKey is YHMHDQMLVOGIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2.ClH/c11-7(12)5-1-2-10-4-8-9-6(10)3-5;/h1-4H,(H,11,12);1H.
What are the key properties of [1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride?
[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride has a molecular weight of 199.60 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 146082231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).