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

C13H19N3O2 — CID 82383045

IUPAC3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2nnc(C3CCCCC3)n21
InChIInChI=1S/C13H19N3O2/c17-13(18)10-7-4-8-11-14-15-12(16(10)11)9-5-2-1-3-6-9/h9-10H,1-8H2,(H,17,18)
InChIKeyWZZMSHNOYXPEBG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.29
Rot. Bonds2

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

3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid (PubChem CID 82383045) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
PubChem CID82383045
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2nnc(C3CCCCC3)n21
InChIInChI=1S/C13H19N3O2/c17-13(18)10-7-4-8-11-14-15-12(16(10)11)9-5-2-1-3-6-9/h9-10H,1-8H2,(H,17,18)
InChIKeyWZZMSHNOYXPEBG-UHFFFAOYSA-N
XLogP2.29
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid (CID 82383045) is 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid is O=C(O)C1CCCc2nnc(C3CCCCC3)n21.
What is the InChIKey of 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The InChIKey is WZZMSHNOYXPEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(18)10-7-4-8-11-14-15-12(16(10)11)9-5-2-1-3-6-9/h9-10H,1-8H2,(H,17,18).
What are the key properties of 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82383045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).