3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one

C14H16ClN3O — CID 62940758

IUPAC3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC(C)c2ccccc2Cl)c1=O
InChIInChI=1S/C14H16ClN3O/c1-3-18-9-8-16-13(14(18)19)17-10(2)11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyDHDNTAJJELMOQS-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.09
Rot. Bonds4

About 3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one

3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one (PubChem CID 62940758) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one
PubChem CID62940758
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC(C)c2ccccc2Cl)c1=O
InChIInChI=1S/C14H16ClN3O/c1-3-18-9-8-16-13(14(18)19)17-10(2)11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyDHDNTAJJELMOQS-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one
CID 62939685
1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one
CID 103943105
1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one
CID 63927744
(1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81379316
3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one
CID 63760377
1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one
CID 62929849
3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62940736
1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine
CID 106566928
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 31585319
N-ethyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-methylpropanamide
CID 103111577
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one
CID 62940940
1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one (CID 62940758) is 3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one is CCn1ccnc(NC(C)c2ccccc2Cl)c1=O.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one?
The InChIKey is DHDNTAJJELMOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-18-9-8-16-13(14(18)19)17-10(2)11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one?
3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one has a molecular weight of 277.75 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 62940758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).