3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one

C14H18N4O — CID 62969926

IUPAC3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N(C)c2ccc(CN)cc2)c1=O
InChIInChI=1S/C14H18N4O/c1-3-18-9-8-16-13(14(18)19)17(2)12-6-4-11(10-15)5-7-12/h4-9H,3,10,15H2,1-2H3
InChIKeyZMRYKZWWMOSLFY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.49
Rot. Bonds4

About 3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one

3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one (PubChem CID 62969926) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one
PubChem CID62969926
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N(C)c2ccc(CN)cc2)c1=O
InChIInChI=1S/C14H18N4O/c1-3-18-9-8-16-13(14(18)19)17(2)12-6-4-11(10-15)5-7-12/h4-9H,3,10,15H2,1-2H3
InChIKeyZMRYKZWWMOSLFY-UHFFFAOYSA-N
XLogP1.49
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromophenyl)methyl-methylamino]-1-ethylpyrazin-2-one
CID 133447307
3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
CID 62922421
1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one
CID 133446320
3-[2-bromoethyl(methyl)amino]-1-ethylpyrazin-2-one
CID 80675862
3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62940139
1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one
CID 133447289
N-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 62969577
3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
CID 62929908
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile
CID 62982275
3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one
CID 62938394

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one (CID 62969926) is 3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one is CCn1ccnc(N(C)c2ccc(CN)cc2)c1=O.
What is the InChIKey of 3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one?
The InChIKey is ZMRYKZWWMOSLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-18-9-8-16-13(14(18)19)17(2)12-6-4-11(10-15)5-7-12/h4-9H,3,10,15H2,1-2H3.
What are the key properties of 3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one?
3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 62969926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).