6-(methylamino)pyrazine-2-carboxylic acid

C6H7N3O2 — CID 818291

IUPAC6-(methylamino)pyrazine-2-carboxylic acid
SMILESCNc1cncc(C(=O)O)n1
InChIInChI=1S/C6H7N3O2/c1-7-5-3-8-2-4(9-5)6(10)11/h2-3H,1H3,(H,7,9)(H,10,11)
InChIKeyOAJBFQZGHAGOAJ-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.22
Rot. Bonds2

About 6-(methylamino)pyrazine-2-carboxylic acid

6-(methylamino)pyrazine-2-carboxylic acid (PubChem CID 818291) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 6-(methylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(methylamino)pyrazine-2-carboxylic acid
PubChem CID818291
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name6-(methylamino)pyrazine-2-carboxylic acid
SMILESCNc1cncc(C(=O)O)n1
InChIInChI=1S/C6H7N3O2/c1-7-5-3-8-2-4(9-5)6(10)11/h2-3H,1H3,(H,7,9)(H,10,11)
InChIKeyOAJBFQZGHAGOAJ-UHFFFAOYSA-N
XLogP0.22
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(methylamino)pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(methylamino)pyrazine-2-carboxylic acid (CID 818291) is 6-(methylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(methylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(methylamino)pyrazine-2-carboxylic acid is CNc1cncc(C(=O)O)n1.
What is the InChIKey of 6-(methylamino)pyrazine-2-carboxylic acid?
The InChIKey is OAJBFQZGHAGOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-7-5-3-8-2-4(9-5)6(10)11/h2-3H,1H3,(H,7,9)(H,10,11).
What are the key properties of 6-(methylamino)pyrazine-2-carboxylic acid?
6-(methylamino)pyrazine-2-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 818291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).