1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid

C14H17N3O2 — CID 55125841

IUPAC1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nnc3ccccn23)CCCCC1
InChIInChI=1S/C14H17N3O2/c18-13(19)14(7-3-1-4-8-14)10-12-16-15-11-6-2-5-9-17(11)12/h2,5-6,9H,1,3-4,7-8,10H2,(H,18,19)
InChIKeyQBWHMGVRQZZCFT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.31
Rot. Bonds3

About 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid

1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid (PubChem CID 55125841) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
PubChem CID55125841
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nnc3ccccn23)CCCCC1
InChIInChI=1S/C14H17N3O2/c18-13(19)14(7-3-1-4-8-14)10-12-16-15-11-6-2-5-9-17(11)12/h2,5-6,9H,1,3-4,7-8,10H2,(H,18,19)
InChIKeyQBWHMGVRQZZCFT-UHFFFAOYSA-N
XLogP2.31
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid (CID 55125841) is 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid is O=C(O)C1(Cc2nnc3ccccn23)CCCCC1.
What is the InChIKey of 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid?
The InChIKey is QBWHMGVRQZZCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13(19)14(7-3-1-4-8-14)10-12-16-15-11-6-2-5-9-17(11)12/h2,5-6,9H,1,3-4,7-8,10H2,(H,18,19).
What are the key properties of 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid?
1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55125841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).