4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 114570455

IUPAC4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(Nc2ncc[nH]c2=O)(C(=O)O)CC1
InChIInChI=1S/C13H19N3O3/c1-2-9-3-5-13(6-4-9,12(18)19)16-10-11(17)15-8-7-14-10/h7-9H,2-6H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeySPRFRBOYZZZEGB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.61
Rot. Bonds4

About 4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid

4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 114570455) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID114570455
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(Nc2ncc[nH]c2=O)(C(=O)O)CC1
InChIInChI=1S/C13H19N3O3/c1-2-9-3-5-13(6-4-9,12(18)19)16-10-11(17)15-8-7-14-10/h7-9H,2-6H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeySPRFRBOYZZZEGB-UHFFFAOYSA-N
XLogP1.61
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]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-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid (CID 114570455) is 4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid is CCC1CCC(Nc2ncc[nH]c2=O)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SPRFRBOYZZZEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-9-3-5-13(6-4-9,12(18)19)16-10-11(17)15-8-7-14-10/h7-9H,2-6H2,1H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114570455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).