2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid

C9H10N4O2 — CID 62672147

IUPAC2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1nccnc1C#N)C(=O)O
InChIInChI=1S/C9H10N4O2/c1-9(2,8(14)15)13-7-6(5-10)11-3-4-12-7/h3-4H,1-2H3,(H,12,13)(H,14,15)
InChIKeyQPIOCBRFVFQUOI-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.62
Rot. Bonds3

About 2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid

2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid (PubChem CID 62672147) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid
PubChem CID62672147
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1nccnc1C#N)C(=O)O
InChIInChI=1S/C9H10N4O2/c1-9(2,8(14)15)13-7-6(5-10)11-3-4-12-7/h3-4H,1-2H3,(H,12,13)(H,14,15)
InChIKeyQPIOCBRFVFQUOI-UHFFFAOYSA-N
XLogP0.62
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid (CID 62672147) is 2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid is CC(C)(Nc1nccnc1C#N)C(=O)O.
What is the InChIKey of 2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is QPIOCBRFVFQUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-9(2,8(14)15)13-7-6(5-10)11-3-4-12-7/h3-4H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid?
2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 206.20 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanopyrazin-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62672147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).