4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid

C10H15N3O3 — CID 91255251

IUPAC4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid
SMILESCCCNC(=O)CN1C=CN(C(=O)O)C=C1
InChIInChI=1S/C10H15N3O3/c1-2-3-11-9(14)8-12-4-6-13(7-5-12)10(15)16/h4-7H,2-3,8H2,1H3,(H,11,14)(H,15,16)
InChIKeyDSLIRQBZMDHDLF-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.75
Rot. Bonds4

About 4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid

4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid (PubChem CID 91255251) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid
PubChem CID91255251
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid
SMILESCCCNC(=O)CN1C=CN(C(=O)O)C=C1
InChIInChI=1S/C10H15N3O3/c1-2-3-11-9(14)8-12-4-6-13(7-5-12)10(15)16/h4-7H,2-3,8H2,1H3,(H,11,14)(H,15,16)
InChIKeyDSLIRQBZMDHDLF-UHFFFAOYSA-N
XLogP0.75
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Butyl-1,3-dihydropyrazin-2-one
CID 54189182
4-Propyl-1,2-dihydropyrazin-3-one
CID 172631445
4-[2-Oxo-2-(propan-2-ylamino)ethyl]pyrazine-1-carboxylic acid
CID 173173156
2-[4-(hydroxymethyl)pyrazin-1-yl]-N-propan-2-ylacetamide
CID 174470646
(3R)-3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid
CID 175331279
3-Methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid
CID 175561025
1-Propyl-1,4-dihydropyrazine-2,3-dione
CID 13366345
4-butyl-1H-pyrazine-2,3-dione
CID 13366347
4-pentyl-1H-pyrazine-2,3-dione
CID 13366348
2-[acetyl(ethenyl)amino]-N-methylpropanamide
CID 21719896
1-Methyl-4-[4-(propylamino)butyl]pyrazine-2,3-dione
CID 55155094
1-Methyl-4-[4-(2-methylpropylamino)butyl]pyrazine-2,3-dione
CID 55155095

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid?
The IUPAC name of 4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid (CID 91255251) is 4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid?
The canonical SMILES for 4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid is CCCNC(=O)CN1C=CN(C(=O)O)C=C1.
What is the InChIKey of 4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid?
The InChIKey is DSLIRQBZMDHDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-3-11-9(14)8-12-4-6-13(7-5-12)10(15)16/h4-7H,2-3,8H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid?
4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid is sourced from PubChem (CID 91255251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).