3-(methylamino)pyrazine-2-carboxylic acid

C6H7N3O2 — CID 20699543

IUPAC3-(methylamino)pyrazine-2-carboxylic acid
SMILESCNc1nccnc1C(=O)O
InChIInChI=1S/C6H7N3O2/c1-7-5-4(6(10)11)8-2-3-9-5/h2-3H,1H3,(H,7,9)(H,10,11)
InChIKeyIBLOAFCONPAYDW-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.22
Rot. Bonds2

About 3-(methylamino)pyrazine-2-carboxylic acid

3-(methylamino)pyrazine-2-carboxylic acid (PubChem CID 20699543) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-(methylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(methylamino)pyrazine-2-carboxylic acid
PubChem CID20699543
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name3-(methylamino)pyrazine-2-carboxylic acid
SMILESCNc1nccnc1C(=O)O
InChIInChI=1S/C6H7N3O2/c1-7-5-4(6(10)11)8-2-3-9-5/h2-3H,1H3,(H,7,9)(H,10,11)
InChIKeyIBLOAFCONPAYDW-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

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(methylamino)pyrazine-2-carboxylic acid (CID 20699543) is 3-(methylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(methylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(methylamino)pyrazine-2-carboxylic acid is CNc1nccnc1C(=O)O.
What is the InChIKey of 3-(methylamino)pyrazine-2-carboxylic acid?
The InChIKey is IBLOAFCONPAYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-7-5-4(6(10)11)8-2-3-9-5/h2-3H,1H3,(H,7,9)(H,10,11).
What are the key properties of 3-(methylamino)pyrazine-2-carboxylic acid?
3-(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 3-(methylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 20699543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).