2,3-dihydropyrazine-2-carboxylic acid

C5H6N2O2 — CID 69131935

IUPAC2,3-dihydropyrazine-2-carboxylic acid
SMILESO=C(O)C1CN=CC=N1
InChIInChI=1S/C5H6N2O2/c8-5(9)4-3-6-1-2-7-4/h1-2,4H,3H2,(H,8,9)
InChIKeyYDVZBTJQOIFCHC-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.41
Rot. Bonds1

About 2,3-dihydropyrazine-2-carboxylic acid

2,3-dihydropyrazine-2-carboxylic acid (PubChem CID 69131935) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 2,3-dihydropyrazine-2-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydropyrazine-2-carboxylic acid
PubChem CID69131935
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name2,3-dihydropyrazine-2-carboxylic acid
SMILESO=C(O)C1CN=CC=N1
InChIInChI=1S/C5H6N2O2/c8-5(9)4-3-6-1-2-7-4/h1-2,4H,3H2,(H,8,9)
InChIKeyYDVZBTJQOIFCHC-UHFFFAOYSA-N
XLogP-0.41
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrazine-2-carboxylic acid?
The IUPAC name of 2,3-dihydropyrazine-2-carboxylic acid (CID 69131935) is 2,3-dihydropyrazine-2-carboxylic acid.
What is the SMILES notation for 2,3-dihydropyrazine-2-carboxylic acid?
The canonical SMILES for 2,3-dihydropyrazine-2-carboxylic acid is O=C(O)C1CN=CC=N1.
What is the InChIKey of 2,3-dihydropyrazine-2-carboxylic acid?
The InChIKey is YDVZBTJQOIFCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c8-5(9)4-3-6-1-2-7-4/h1-2,4H,3H2,(H,8,9).
What are the key properties of 2,3-dihydropyrazine-2-carboxylic acid?
2,3-dihydropyrazine-2-carboxylic acid has a molecular weight of 126.11 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrazine-2-carboxylic acid is sourced from PubChem (CID 69131935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).