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

C7H10ClN3O2 — CID 117275408

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCn2ncnc2C1
InChIInChI=1S/C7H9N3O2.ClH/c11-7(12)5-1-2-10-6(3-5)8-4-9-10;/h4-5H,1-3H2,(H,11,12);1H
InChIKeyAMVHTTIIPITMHL-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.35
Rot. Bonds1

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

5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;hydrochloride (PubChem CID 117275408) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;hydrochloride
PubChem CID117275408
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCn2ncnc2C1
InChIInChI=1S/C7H9N3O2.ClH/c11-7(12)5-1-2-10-6(3-5)8-4-9-10;/h4-5H,1-3H2,(H,11,12);1H
InChIKeyAMVHTTIIPITMHL-UHFFFAOYSA-N
XLogP0.35
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;hydrochloride?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;hydrochloride (CID 117275408) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;hydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCn2ncnc2C1.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;hydrochloride?
The InChIKey is AMVHTTIIPITMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2.ClH/c11-7(12)5-1-2-10-6(3-5)8-4-9-10;/h4-5H,1-3H2,(H,11,12);1H.
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;hydrochloride?
5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 117275408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).