4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid

C11H12N4O3 — CID 115292176

IUPAC4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid
SMILESN#Cc1cnc(NC2(C(=O)O)CCOCC2)cn1
InChIInChI=1S/C11H12N4O3/c12-5-8-6-14-9(7-13-8)15-11(10(16)17)1-3-18-4-2-11/h6-7H,1-4H2,(H,14,15)(H,16,17)
InChIKeyRWHAYDCMDPNDKD-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.39
Rot. Bonds3

About 4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid

4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid (PubChem CID 115292176) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid
PubChem CID115292176
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid
SMILESN#Cc1cnc(NC2(C(=O)O)CCOCC2)cn1
InChIInChI=1S/C11H12N4O3/c12-5-8-6-14-9(7-13-8)15-11(10(16)17)1-3-18-4-2-11/h6-7H,1-4H2,(H,14,15)(H,16,17)
InChIKeyRWHAYDCMDPNDKD-UHFFFAOYSA-N
XLogP0.39
TPSA108.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(5-cyanopyrazin-2-yl)amino]oxane-4-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-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid (CID 115292176) is 4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid is N#Cc1cnc(NC2(C(=O)O)CCOCC2)cn1.
What is the InChIKey of 4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid?
The InChIKey is RWHAYDCMDPNDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c12-5-8-6-14-9(7-13-8)15-11(10(16)17)1-3-18-4-2-11/h6-7H,1-4H2,(H,14,15)(H,16,17).
What are the key properties of 4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid?
4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyanopyrazin-2-yl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115292176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).