3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one

C14H17N3O — CID 133446969

IUPAC3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(Nc2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C14H17N3O/c1-4-17-8-7-15-13(14(17)18)16-12-6-5-10(2)11(3)9-12/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyYXEPYXZFUXDBHS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.62
Rot. Bonds3

About 3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one

3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one (PubChem CID 133446969) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one
PubChem CID133446969
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(Nc2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C14H17N3O/c1-4-17-8-7-15-13(14(17)18)16-12-6-5-10(2)11(3)9-12/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyYXEPYXZFUXDBHS-UHFFFAOYSA-N
XLogP2.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one (CID 133446969) is 3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one is CCn1ccnc(Nc2ccc(C)c(C)c2)c1=O.
What is the InChIKey of 3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one?
The InChIKey is YXEPYXZFUXDBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-17-8-7-15-13(14(17)18)16-12-6-5-10(2)11(3)9-12/h5-9H,4H2,1-3H3,(H,15,16).
What are the key properties of 3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one?
3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one is sourced from PubChem (CID 133446969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).