4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid

C13H19N3O2 — CID 61293960

IUPAC4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(Nc2cnccn2)(C(=O)O)CC1
InChIInChI=1S/C13H19N3O2/c1-2-10-3-5-13(6-4-10,12(17)18)16-11-9-14-7-8-15-11/h7-10H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyOPIIRXAJVOUBCD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.31
Rot. Bonds4

About 4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid

4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 61293960) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
PubChem CID61293960
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(Nc2cnccn2)(C(=O)O)CC1
InChIInChI=1S/C13H19N3O2/c1-2-10-3-5-13(6-4-10,12(17)18)16-11-9-14-7-8-15-11/h7-10H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyOPIIRXAJVOUBCD-UHFFFAOYSA-N
XLogP2.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid (CID 61293960) is 4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid is CCC1CCC(Nc2cnccn2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is OPIIRXAJVOUBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-10-3-5-13(6-4-10,12(17)18)16-11-9-14-7-8-15-11/h7-10H,2-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid?
4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61293960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).