6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one

C9H13N3O — CID 123620960

IUPAC6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one
SMILESCCc1ncc(=O)[nH]c1/C(C)=N/C
InChIInChI=1S/C9H13N3O/c1-4-7-9(6(2)10-3)12-8(13)5-11-7/h5H,4H2,1-3H3,(H,12,13)/b10-6+
InChIKeyFMHROWVHBFQCGD-UXBLZVDNSA-N
MW179.22 g/mol
LogP0.77
Rot. Bonds2

About 6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one

6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one (PubChem CID 123620960) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one
PubChem CID123620960
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one
SMILESCCc1ncc(=O)[nH]c1/C(C)=N/C
InChIInChI=1S/C9H13N3O/c1-4-7-9(6(2)10-3)12-8(13)5-11-7/h5H,4H2,1-3H3,(H,12,13)/b10-6+
InChIKeyFMHROWVHBFQCGD-UXBLZVDNSA-N
XLogP0.77
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one?
The IUPAC name of 6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one (CID 123620960) is 6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one.
What is the SMILES notation for 6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one?
The canonical SMILES for 6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one is CCc1ncc(=O)[nH]c1/C(C)=N/C.
What is the InChIKey of 6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one?
The InChIKey is FMHROWVHBFQCGD-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-7-9(6(2)10-3)12-8(13)5-11-7/h5H,4H2,1-3H3,(H,12,13)/b10-6+.
What are the key properties of 6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one?
6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one is sourced from PubChem (CID 123620960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).