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

C14H17N3O — CID 62938284

IUPAC1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCc2ccccc2C)c1=O
InChIInChI=1S/C14H17N3O/c1-3-17-9-8-15-13(14(17)18)16-10-12-7-5-4-6-11(12)2/h4-9H,3,10H2,1-2H3,(H,15,16)
InChIKeyGMTQMIXKEYQGCM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.18
Rot. Bonds4

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

1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one (PubChem CID 62938284) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
PubChem CID62938284
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCc2ccccc2C)c1=O
InChIInChI=1S/C14H17N3O/c1-3-17-9-8-15-13(14(17)18)16-10-12-7-5-4-6-11(12)2/h4-9H,3,10H2,1-2H3,(H,15,16)
InChIKeyGMTQMIXKEYQGCM-UHFFFAOYSA-N
XLogP2.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938286
3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55157194
1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938866
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-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62927930
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033
3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62940139
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62940227

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one (CID 62938284) is 1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one is CCn1ccnc(NCc2ccccc2C)c1=O.
What is the InChIKey of 1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one?
The InChIKey is GMTQMIXKEYQGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-17-9-8-15-13(14(17)18)16-10-12-7-5-4-6-11(12)2/h4-9H,3,10H2,1-2H3,(H,15,16).
What are the key properties of 1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one?
1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 62938284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).