1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one

C13H14ClN3O — CID 142172858

IUPAC1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one
SMILESCNc1nc(Cl)c(C)n(Cc2ccccc2)c1=O
InChIInChI=1S/C13H14ClN3O/c1-9-11(14)16-12(15-2)13(18)17(9)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyLHRMXEYSWYYDEL-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.30
Rot. Bonds3

About 1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one

1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one (PubChem CID 142172858) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one
PubChem CID142172858
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one
SMILESCNc1nc(Cl)c(C)n(Cc2ccccc2)c1=O
InChIInChI=1S/C13H14ClN3O/c1-9-11(14)16-12(15-2)13(18)17(9)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyLHRMXEYSWYYDEL-UHFFFAOYSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea
CID 122212444
3-benzyl-6-chloro-2,5-dimethylpyrimidin-4-one
CID 143373161
benzyl 2-[3-chloro-2-methyl-6-oxo-5-(1-phenylethylamino)pyrazin-1-yl]acetate
CID 57241169
3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one
CID 10638735
benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate
CID 54269425
1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione
CID 11463083
1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one
CID 174769465
benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate
CID 10663926
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773
benzyl 2-[3-chloro-5-[[1-(dimethylamino)-2-phenylpropyl]amino]-2-methyl-6-oxopyrazin-1-yl]acetate
CID 18470849
9,19-dibenzyl-10,20-dimethyl-4,7,14,17-tetra(propan-2-yl)-3,6,9,13,16,19,21,22-octazatricyclo[16.2.1.18,11]docosa-1(20),8(22),10,18(21)-tetraene-2,5,12,15-tetrone
CID 122221751
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one?
The IUPAC name of 1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one (CID 142172858) is 1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one.
What is the SMILES notation for 1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one?
The canonical SMILES for 1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one is CNc1nc(Cl)c(C)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one?
The InChIKey is LHRMXEYSWYYDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-11(14)16-12(15-2)13(18)17(9)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one?
1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one has a molecular weight of 263.73 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one is sourced from PubChem (CID 142172858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).