1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one

C13H14N4O3 — CID 62927584

IUPAC1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCc2ccccc2[N+](=O)[O-])c1=O
InChIInChI=1S/C13H14N4O3/c1-2-16-8-7-14-12(13(16)18)15-9-10-5-3-4-6-11(10)17(19)20/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyQXCZVOIGTPRMLD-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.78
Rot. Bonds5

About 1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one

1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one (PubChem CID 62927584) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one
PubChem CID62927584
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCc2ccccc2[N+](=O)[O-])c1=O
InChIInChI=1S/C13H14N4O3/c1-2-16-8-7-14-12(13(16)18)15-9-10-5-3-4-6-11(10)17(19)20/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyQXCZVOIGTPRMLD-UHFFFAOYSA-N
XLogP1.78
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55157194
1-ethyl-N-[(2-methyl-3-nitrophenyl)methyl]imidazol-2-amine
CID 103111946
1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one
CID 133449127
N-methyl-1-[1-[(2-nitrophenyl)methyl]imidazol-2-yl]methanamine
CID 55048706
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
3-chloro-1-[2-(2-nitrophenyl)ethyl]pyrazin-2-one
CID 114561625
3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62927930
3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938286
N-[[1-[(2-nitrophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62221100
2-methyl-N-[(2-nitrophenyl)methyl]pyrimidin-4-amine
CID 55112765
5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 24903305
3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62940227

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one (CID 62927584) is 1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one is CCn1ccnc(NCc2ccccc2[N+](=O)[O-])c1=O.
What is the InChIKey of 1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one?
The InChIKey is QXCZVOIGTPRMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-16-8-7-14-12(13(16)18)15-9-10-5-3-4-6-11(10)17(19)20/h3-8H,2,9H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one?
1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one has a molecular weight of 274.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 62927584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).