3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid

C10H16N4O2 — CID 62710303

IUPAC3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid
SMILESCCN(C)CCNc1nccnc1C(=O)O
InChIInChI=1S/C10H16N4O2/c1-3-14(2)7-6-13-9-8(10(15)16)11-4-5-12-9/h4-5H,3,6-7H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyXFRCDPMFYQDUON-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.54
Rot. Bonds6

About 3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid

3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid (PubChem CID 62710303) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid
PubChem CID62710303
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid
SMILESCCN(C)CCNc1nccnc1C(=O)O
InChIInChI=1S/C10H16N4O2/c1-3-14(2)7-6-13-9-8(10(15)16)11-4-5-12-9/h4-5H,3,6-7H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyXFRCDPMFYQDUON-UHFFFAOYSA-N
XLogP0.54
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid (CID 62710303) is 3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid is CCN(C)CCNc1nccnc1C(=O)O.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is XFRCDPMFYQDUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-14(2)7-6-13-9-8(10(15)16)11-4-5-12-9/h4-5H,3,6-7H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid?
3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 62710303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).