2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid

C11H17N3O2 — CID 62694298

IUPAC2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
SMILESCCn1cnnc1C1CCCCC1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-2-14-7-12-13-10(14)8-5-3-4-6-9(8)11(15)16/h7-9H,2-6H2,1H3,(H,15,16)
InChIKeyRHBSPOVNBALUQS-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.66
Rot. Bonds3

About 2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid

2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 62694298) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
PubChem CID62694298
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
SMILESCCn1cnnc1C1CCCCC1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-2-14-7-12-13-10(14)8-5-3-4-6-9(8)11(15)16/h7-9H,2-6H2,1H3,(H,15,16)
InChIKeyRHBSPOVNBALUQS-UHFFFAOYSA-N
XLogP1.66
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid (CID 62694298) is 2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid is CCn1cnnc1C1CCCCC1C(=O)O.
What is the InChIKey of 2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is RHBSPOVNBALUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-14-7-12-13-10(14)8-5-3-4-6-9(8)11(15)16/h7-9H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62694298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).