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

C11H12N4O2 — CID 62672148

IUPAC1-[(3-cyanopyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESN#Cc1nccnc1NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H12N4O2/c12-7-8-9(14-6-5-13-8)15-11(10(16)17)3-1-2-4-11/h5-6H,1-4H2,(H,14,15)(H,16,17)
InChIKeyYEPFALCEPCYFLG-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.16
Rot. Bonds3

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

1-[(3-cyanopyrazin-2-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 62672148) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[(3-cyanopyrazin-2-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyanopyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID62672148
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-[(3-cyanopyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESN#Cc1nccnc1NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H12N4O2/c12-7-8-9(14-6-5-13-8)15-11(10(16)17)3-1-2-4-11/h5-6H,1-4H2,(H,14,15)(H,16,17)
InChIKeyYEPFALCEPCYFLG-UHFFFAOYSA-N
XLogP1.16
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanopyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-cyanopyrazin-2-yl)amino]cyclopentane-1-carboxylic acid (CID 62672148) is 1-[(3-cyanopyrazin-2-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-cyanopyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-cyanopyrazin-2-yl)amino]cyclopentane-1-carboxylic acid is N#Cc1nccnc1NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(3-cyanopyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is YEPFALCEPCYFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-7-8-9(14-6-5-13-8)15-11(10(16)17)3-1-2-4-11/h5-6H,1-4H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(3-cyanopyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
1-[(3-cyanopyrazin-2-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.16, 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62672148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).