3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid

C9H14N4O2 — CID 62711461

IUPAC3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid
SMILESCN(C)CCNc1nccnc1C(=O)O
InChIInChI=1S/C9H14N4O2/c1-13(2)6-5-12-8-7(9(14)15)10-3-4-11-8/h3-4H,5-6H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyGENJBHAPFLUFNP-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.15
Rot. Bonds5

About 3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid

3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 62711461) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid
PubChem CID62711461
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid
SMILESCN(C)CCNc1nccnc1C(=O)O
InChIInChI=1S/C9H14N4O2/c1-13(2)6-5-12-8-7(9(14)15)10-3-4-11-8/h3-4H,5-6H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyGENJBHAPFLUFNP-UHFFFAOYSA-N
XLogP0.15
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid (CID 62711461) is 3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid is CN(C)CCNc1nccnc1C(=O)O.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is GENJBHAPFLUFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13(2)6-5-12-8-7(9(14)15)10-3-4-11-8/h3-4H,5-6H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid?
3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 210.24 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 62711461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).