3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one

C13H16N4O — CID 55157194

IUPAC3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCc2ccccc2N)c1=O
InChIInChI=1S/C13H16N4O/c1-2-17-8-7-15-12(13(17)18)16-9-10-5-3-4-6-11(10)14/h3-8H,2,9,14H2,1H3,(H,15,16)
InChIKeyDDTTXSFUUDYOQS-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.46
Rot. Bonds4

About 3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one

3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one (PubChem CID 55157194) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
PubChem CID55157194
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCc2ccccc2N)c1=O
InChIInChI=1S/C13H16N4O/c1-2-17-8-7-15-12(13(17)18)16-9-10-5-3-4-6-11(10)14/h3-8H,2,9,14H2,1H3,(H,15,16)
InChIKeyDDTTXSFUUDYOQS-UHFFFAOYSA-N
XLogP1.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284
3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62938649
1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one
CID 62927584
1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one
CID 133449127
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62940139
3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62927930
3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938286
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62940227
1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one
CID 62929849
1-ethyl-3-[(6-methoxy-3-pyridinyl)methylamino]pyrazin-2-one
CID 55140337

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one (CID 55157194) is 3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one is CCn1ccnc(NCc2ccccc2N)c1=O.
What is the InChIKey of 3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one?
The InChIKey is DDTTXSFUUDYOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-17-8-7-15-12(13(17)18)16-9-10-5-3-4-6-11(10)14/h3-8H,2,9,14H2,1H3,(H,15,16).
What are the key properties of 3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one?
3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one has a molecular weight of 244.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 55157194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).