2-[(3-cyanopyrazin-2-yl)amino]-4-methylpentanoic acid

C11H14N4O2 — CID 62672856

IUPAC2-[(3-cyanopyrazin-2-yl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(Nc1nccnc1C#N)C(=O)O
InChIInChI=1S/C11H14N4O2/c1-7(2)5-8(11(16)17)15-10-9(6-12)13-3-4-14-10/h3-4,7-8H,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQAASXHGBWBNSCJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.26
Rot. Bonds5

About 2-[(3-cyanopyrazin-2-yl)amino]-4-methylpentanoic acid

2-[(3-cyanopyrazin-2-yl)amino]-4-methylpentanoic acid (PubChem CID 62672856) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[(3-cyanopyrazin-2-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-cyanopyrazin-2-yl)amino]-4-methylpentanoic acid
PubChem CID62672856
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-[(3-cyanopyrazin-2-yl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(Nc1nccnc1C#N)C(=O)O
InChIInChI=1S/C11H14N4O2/c1-7(2)5-8(11(16)17)15-10-9(6-12)13-3-4-14-10/h3-4,7-8H,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQAASXHGBWBNSCJ-UHFFFAOYSA-N
XLogP1.26
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.26
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]-4-methylpentanoic acid?
The IUPAC name of 2-[(3-cyanopyrazin-2-yl)amino]-4-methylpentanoic acid (CID 62672856) is 2-[(3-cyanopyrazin-2-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(3-cyanopyrazin-2-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(3-cyanopyrazin-2-yl)amino]-4-methylpentanoic acid is CC(C)CC(Nc1nccnc1C#N)C(=O)O.
What is the InChIKey of 2-[(3-cyanopyrazin-2-yl)amino]-4-methylpentanoic acid?
The InChIKey is QAASXHGBWBNSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7(2)5-8(11(16)17)15-10-9(6-12)13-3-4-14-10/h3-4,7-8H,5H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3-cyanopyrazin-2-yl)amino]-4-methylpentanoic acid?
2-[(3-cyanopyrazin-2-yl)amino]-4-methylpentanoic acid has a molecular weight of 234.26 g/mol, XLogP of 1.26, 5 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]-4-methylpentanoic acid is sourced from PubChem (CID 62672856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).