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

C14H21N3O2 — CID 55107784

IUPAC2-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1c1nncn1C1CCCC1
InChIInChI=1S/C14H21N3O2/c18-14(19)12-8-4-3-7-11(12)13-16-15-9-17(13)10-5-1-2-6-10/h9-12H,1-8H2,(H,18,19)
InChIKeyOBPQEUMOFXSFJU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.75
Rot. Bonds3

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

2-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 55107784) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
PubChem CID55107784
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1c1nncn1C1CCCC1
InChIInChI=1S/C14H21N3O2/c18-14(19)12-8-4-3-7-11(12)13-16-15-9-17(13)10-5-1-2-6-10/h9-12H,1-8H2,(H,18,19)
InChIKeyOBPQEUMOFXSFJU-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid (CID 55107784) is 2-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1c1nncn1C1CCCC1.
What is the InChIKey of 2-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is OBPQEUMOFXSFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-14(19)12-8-4-3-7-11(12)13-16-15-9-17(13)10-5-1-2-6-10/h9-12H,1-8H2,(H,18,19).
What are the key properties of 2-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
2-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55107784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).