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

C13H14BrN3O — CID 62940227

IUPAC3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCc2cccc(Br)c2)c1=O
InChIInChI=1S/C13H14BrN3O/c1-2-17-7-6-15-12(13(17)18)16-9-10-4-3-5-11(14)8-10/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyHALUWQLFUSNZDL-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.64
Rot. Bonds4

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

3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one (PubChem CID 62940227) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
PubChem CID62940227
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCc2cccc(Br)c2)c1=O
InChIInChI=1S/C13H14BrN3O/c1-2-17-7-6-15-12(13(17)18)16-9-10-4-3-5-11(14)8-10/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyHALUWQLFUSNZDL-UHFFFAOYSA-N
XLogP2.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62940139
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide
CID 86782024
1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one
CID 62996104
3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
CID 62928989
3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 133471844
1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one
CID 62929849
3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62940904
N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine
CID 106569127
1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284
3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55157194

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one (CID 62940227) is 3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one is CCn1ccnc(NCc2cccc(Br)c2)c1=O.
What is the InChIKey of 3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one?
The InChIKey is HALUWQLFUSNZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-2-17-7-6-15-12(13(17)18)16-9-10-4-3-5-11(14)8-10/h3-8H,2,9H2,1H3,(H,15,16).
What are the key properties of 3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one?
3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one has a molecular weight of 308.18 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 62940227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).