1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid

C10H10N4O2 — CID 81164784

IUPAC1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid
SMILESN#Cc1cnc(NC2(C(=O)O)CCC2)cn1
InChIInChI=1S/C10H10N4O2/c11-4-7-5-13-8(6-12-7)14-10(9(15)16)2-1-3-10/h5-6H,1-3H2,(H,13,14)(H,15,16)
InChIKeyQXZSOBBKYKLJMI-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.77
Rot. Bonds3

About 1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid

1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81164784) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid
PubChem CID81164784
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid
SMILESN#Cc1cnc(NC2(C(=O)O)CCC2)cn1
InChIInChI=1S/C10H10N4O2/c11-4-7-5-13-8(6-12-7)14-10(9(15)16)2-1-3-10/h5-6H,1-3H2,(H,13,14)(H,15,16)
InChIKeyQXZSOBBKYKLJMI-UHFFFAOYSA-N
XLogP0.77
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid (CID 81164784) is 1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid is N#Cc1cnc(NC2(C(=O)O)CCC2)cn1.
What is the InChIKey of 1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is QXZSOBBKYKLJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-4-7-5-13-8(6-12-7)14-10(9(15)16)2-1-3-10/h5-6H,1-3H2,(H,13,14)(H,15,16).
What are the key properties of 1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid?
1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).