1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one

C14H17N3OS — CID 62939167

IUPAC1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCSc2ccccc2)c1=O
InChIInChI=1S/C14H17N3OS/c1-2-17-10-8-15-13(14(17)18)16-9-11-19-12-6-4-3-5-7-12/h3-8,10H,2,9,11H2,1H3,(H,15,16)
InChIKeyKJAPOMWYSRRQNF-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.47
Rot. Bonds6

About 1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one

1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one (PubChem CID 62939167) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one
PubChem CID62939167
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCSc2ccccc2)c1=O
InChIInChI=1S/C14H17N3OS/c1-2-17-10-8-15-13(14(17)18)16-9-11-19-12-6-4-3-5-7-12/h3-8,10H,2,9,11H2,1H3,(H,15,16)
InChIKeyKJAPOMWYSRRQNF-UHFFFAOYSA-N
XLogP2.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one
CID 55130602
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
3-(3-ethoxypropylamino)-1-ethylpyrazin-2-one
CID 62940527
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
CID 62940018
1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284
3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55157194
1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 113327814
3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one
CID 114171621
3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine
CID 113228928
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one
CID 62927574

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one (CID 62939167) is 1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one is CCn1ccnc(NCCSc2ccccc2)c1=O.
What is the InChIKey of 1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one?
The InChIKey is KJAPOMWYSRRQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-17-10-8-15-13(14(17)18)16-9-11-19-12-6-4-3-5-7-12/h3-8,10H,2,9,11H2,1H3,(H,15,16).
What are the key properties of 1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one?
1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one has a molecular weight of 275.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one is sourced from PubChem (CID 62939167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).