3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one

C14H18N4O — CID 62940139

IUPAC3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCc2cccc(CN)c2)c1=O
InChIInChI=1S/C14H18N4O/c1-2-18-7-6-16-13(14(18)19)17-10-12-5-3-4-11(8-12)9-15/h3-8H,2,9-10,15H2,1H3,(H,16,17)
InChIKeyRLLWFDRKLNVVNX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.33
Rot. Bonds5

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

3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one (PubChem CID 62940139) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
PubChem CID62940139
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCc2cccc(CN)c2)c1=O
InChIInChI=1S/C14H18N4O/c1-2-18-7-6-16-13(14(18)19)17-10-12-5-3-4-11(8-12)9-15/h3-8H,2,9-10,15H2,1H3,(H,16,17)
InChIKeyRLLWFDRKLNVVNX-UHFFFAOYSA-N
XLogP1.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62940227
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
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-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55157194
3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62940904
N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine
CID 62133080

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one (CID 62940139) is 3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one is CCn1ccnc(NCc2cccc(CN)c2)c1=O.
What is the InChIKey of 3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one?
The InChIKey is RLLWFDRKLNVVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-18-7-6-16-13(14(18)19)17-10-12-5-3-4-11(8-12)9-15/h3-8H,2,9-10,15H2,1H3,(H,16,17).
What are the key properties of 3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one?
3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 62940139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).