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

C9H8N4O3 — CID 89437178

IUPAC4-[(5-cyanopyrazin-2-yl)amino]-4-oxobutanoic acid
SMILESN#Cc1cnc(NC(=O)CCC(=O)O)cn1
InChIInChI=1S/C9H8N4O3/c10-3-6-4-12-7(5-11-6)13-8(14)1-2-9(15)16/h4-5H,1-2H2,(H,15,16)(H,12,13,14)
InChIKeyTUFCKDOVZLPZRQ-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.15
Rot. Bonds4

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

4-[(5-cyanopyrazin-2-yl)amino]-4-oxobutanoic acid (PubChem CID 89437178) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-[(5-cyanopyrazin-2-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(5-cyanopyrazin-2-yl)amino]-4-oxobutanoic acid
PubChem CID89437178
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name4-[(5-cyanopyrazin-2-yl)amino]-4-oxobutanoic acid
SMILESN#Cc1cnc(NC(=O)CCC(=O)O)cn1
InChIInChI=1S/C9H8N4O3/c10-3-6-4-12-7(5-11-6)13-8(14)1-2-9(15)16/h4-5H,1-2H2,(H,15,16)(H,12,13,14)
InChIKeyTUFCKDOVZLPZRQ-UHFFFAOYSA-N
XLogP0.15
TPSA115.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyanopyrazin-2-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(5-cyanopyrazin-2-yl)amino]-4-oxobutanoic acid (CID 89437178) is 4-[(5-cyanopyrazin-2-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(5-cyanopyrazin-2-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(5-cyanopyrazin-2-yl)amino]-4-oxobutanoic acid is N#Cc1cnc(NC(=O)CCC(=O)O)cn1.
What is the InChIKey of 4-[(5-cyanopyrazin-2-yl)amino]-4-oxobutanoic acid?
The InChIKey is TUFCKDOVZLPZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c10-3-6-4-12-7(5-11-6)13-8(14)1-2-9(15)16/h4-5H,1-2H2,(H,15,16)(H,12,13,14).
What are the key properties of 4-[(5-cyanopyrazin-2-yl)amino]-4-oxobutanoic acid?
4-[(5-cyanopyrazin-2-yl)amino]-4-oxobutanoic acid has a molecular weight of 220.19 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyanopyrazin-2-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 89437178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).