1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one

C16H21N3O — CID 62939685

IUPAC1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one
SMILESCCc1ccc(C(C)Nc2nccn(CC)c2=O)cc1
InChIInChI=1S/C16H21N3O/c1-4-13-6-8-14(9-7-13)12(3)18-15-16(20)19(5-2)11-10-17-15/h6-12H,4-5H2,1-3H3,(H,17,18)
InChIKeySYRKXZAFURKRMF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.00
Rot. Bonds5

About 1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one

1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one (PubChem CID 62939685) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one
PubChem CID62939685
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one
SMILESCCc1ccc(C(C)Nc2nccn(CC)c2=O)cc1
InChIInChI=1S/C16H21N3O/c1-4-13-6-8-14(9-7-13)12(3)18-15-16(20)19(5-2)11-10-17-15/h6-12H,4-5H2,1-3H3,(H,17,18)
InChIKeySYRKXZAFURKRMF-UHFFFAOYSA-N
XLogP3.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one (CID 62939685) is 1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one is CCc1ccc(C(C)Nc2nccn(CC)c2=O)cc1.
What is the InChIKey of 1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one?
The InChIKey is SYRKXZAFURKRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-13-6-8-14(9-7-13)12(3)18-15-16(20)19(5-2)11-10-17-15/h6-12H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one?
1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 62939685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).