1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid

C12H14N4O2 — CID 62672149

IUPAC1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESN#Cc1nccnc1NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H14N4O2/c13-8-9-10(15-7-6-14-9)16-12(11(17)18)4-2-1-3-5-12/h6-7H,1-5H2,(H,15,16)(H,17,18)
InChIKeyKEYHOVALVVXJQH-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.55
Rot. Bonds3

About 1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid

1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 62672149) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID62672149
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESN#Cc1nccnc1NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H14N4O2/c13-8-9-10(15-7-6-14-9)16-12(11(17)18)4-2-1-3-5-12/h6-7H,1-5H2,(H,15,16)(H,17,18)
InChIKeyKEYHOVALVVXJQH-UHFFFAOYSA-N
XLogP1.55
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3-cyanopyrazin-2-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 1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid (CID 62672149) is 1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid is N#Cc1nccnc1NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KEYHOVALVVXJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-8-9-10(15-7-6-14-9)16-12(11(17)18)4-2-1-3-5-12/h6-7H,1-5H2,(H,15,16)(H,17,18).
What are the key properties of 1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62672149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).