1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one

C16H21N3O — CID 62929849

IUPAC1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCc2ccc(C(C)C)cc2)c1=O
InChIInChI=1S/C16H21N3O/c1-4-19-10-9-17-15(16(19)20)18-11-13-5-7-14(8-6-13)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,17,18)
InChIKeyRXDADEJOQMFJRG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.00
Rot. Bonds5

About 1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one

1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one (PubChem CID 62929849) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one
PubChem CID62929849
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCc2ccc(C(C)C)cc2)c1=O
InChIInChI=1S/C16H21N3O/c1-4-19-10-9-17-15(16(19)20)18-11-13-5-7-14(8-6-13)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,17,18)
InChIKeyRXDADEJOQMFJRG-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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Related Compounds

1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one
CID 62939685
1-ethyl-3-[(6-methoxy-3-pyridinyl)methylamino]pyrazin-2-one
CID 55140337
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62940139
3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62940227
1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one
CID 62996104
1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
CID 115407571
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036
1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
CID 115303205

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one (CID 62929849) is 1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one is CCn1ccnc(NCc2ccc(C(C)C)cc2)c1=O.
What is the InChIKey of 1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one?
The InChIKey is RXDADEJOQMFJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-19-10-9-17-15(16(19)20)18-11-13-5-7-14(8-6-13)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,17,18).
What are the key properties of 1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one?
1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]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-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 62929849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).