2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

C15H19N3O2 — CID 83965740

IUPAC2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2nc(CCC3CCCCC3)nc2c1
InChIInChI=1S/C15H19N3O2/c19-15(20)12-8-9-18-14(10-12)16-13(17-18)7-6-11-4-2-1-3-5-11/h8-11H,1-7H2,(H,19,20)
InChIKeyAMYFTSPCOBPJPN-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.94
Rot. Bonds4

About 2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 83965740) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID83965740
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2nc(CCC3CCCCC3)nc2c1
InChIInChI=1S/C15H19N3O2/c19-15(20)12-8-9-18-14(10-12)16-13(17-18)7-6-11-4-2-1-3-5-11/h8-11H,1-7H2,(H,19,20)
InChIKeyAMYFTSPCOBPJPN-UHFFFAOYSA-N
XLogP2.94
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117135584
2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 83965732
2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117133715
methyl 2-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134728
2-cyclohexylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357034
2-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117134101
2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82566784
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117130151
1-(2-cyclohexylethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63548848
2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 83965742
methyl 2-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257939
2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117129285

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 83965740) is 2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2nc(CCC3CCCCC3)nc2c1.
What is the InChIKey of 2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is AMYFTSPCOBPJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15(20)12-8-9-18-14(10-12)16-13(17-18)7-6-11-4-2-1-3-5-11/h8-11H,1-7H2,(H,19,20).
What are the key properties of 2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 83965740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).