3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide

C8H13N3O2 — CID 137411127

IUPAC3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide
SMILESCC(C)N1C=CNC(C(N)=O)C1=O
InChIInChI=1S/C8H13N3O2/c1-5(2)11-4-3-10-6(7(9)12)8(11)13/h3-6,10H,1-2H3,(H2,9,12)
InChIKeyLYWVNIOODPCQNJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.85
Rot. Bonds2

About 3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide

3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide (PubChem CID 137411127) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide.

Molecular Properties

Compound Name3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide
PubChem CID137411127
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide
SMILESCC(C)N1C=CNC(C(N)=O)C1=O
InChIInChI=1S/C8H13N3O2/c1-5(2)11-4-3-10-6(7(9)12)8(11)13/h3-6,10H,1-2H3,(H2,9,12)
InChIKeyLYWVNIOODPCQNJ-UHFFFAOYSA-N
XLogP-0.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide?
The IUPAC name of 3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide (CID 137411127) is 3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide.
What is the SMILES notation for 3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide?
The canonical SMILES for 3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide is CC(C)N1C=CNC(C(N)=O)C1=O.
What is the InChIKey of 3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide?
The InChIKey is LYWVNIOODPCQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(2)11-4-3-10-6(7(9)12)8(11)13/h3-6,10H,1-2H3,(H2,9,12).
What are the key properties of 3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide?
3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide is sourced from PubChem (CID 137411127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).