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

C9H14ClN3O2 — CID 146049793

IUPAC3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride
SMILESCCc1nnc2n1CCCC2C(=O)O.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-2-7-10-11-8-6(9(13)14)4-3-5-12(7)8;/h6H,2-5H2,1H3,(H,13,14);1H
InChIKeyJABJEHVGWUFCRL-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.22
Rot. Bonds2

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

3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride (PubChem CID 146049793) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride
PubChem CID146049793
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride
SMILESCCc1nnc2n1CCCC2C(=O)O.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-2-7-10-11-8-6(9(13)14)4-3-5-12(7)8;/h6H,2-5H2,1H3,(H,13,14);1H
InChIKeyJABJEHVGWUFCRL-UHFFFAOYSA-N
XLogP1.22
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82391986
3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151863
3-(1-ethylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151946
3-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151991
3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151935
3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152080
3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152016
3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152061
3-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152057
ethyl (8S)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 125041941
1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 83830664
2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82567773

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride?
The IUPAC name of 3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride (CID 146049793) is 3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride?
The canonical SMILES for 3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride is CCc1nnc2n1CCCC2C(=O)O.Cl.
What is the InChIKey of 3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride?
The InChIKey is JABJEHVGWUFCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.ClH/c1-2-7-10-11-8-6(9(13)14)4-3-5-12(7)8;/h6H,2-5H2,1H3,(H,13,14);1H.
What are the key properties of 3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride?
3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 146049793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).