7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one

C12H19N5O — CID 20590259

IUPAC7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
SMILESCNC1CCCC(C)N(Cc2ncncn2)C1=O
InChIInChI=1S/C12H19N5O/c1-9-4-3-5-10(13-2)12(18)17(9)6-11-15-7-14-8-16-11/h7-10,13H,3-6H2,1-2H3
InChIKeyUSSPDBUPSGTRNR-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.36
Rot. Bonds3

About 7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one

7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one (PubChem CID 20590259) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
PubChem CID20590259
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
SMILESCNC1CCCC(C)N(Cc2ncncn2)C1=O
InChIInChI=1S/C12H19N5O/c1-9-4-3-5-10(13-2)12(18)17(9)6-11-15-7-14-8-16-11/h7-10,13H,3-6H2,1-2H3
InChIKeyUSSPDBUPSGTRNR-UHFFFAOYSA-N
XLogP0.36
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-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-(Methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 20589797
5-(Methylamino)-3-(1,3,5-triazin-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 20589838
4,4-Dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 20589892
4-Methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 20589940
5,5-Dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 20589990
5-Methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 20590033
6,6-Dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 20590082
6-Methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 20590123
7,7-Dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 20590217
4-Methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 21366195
3-(Methylamino)-1-(1,3,5-triazin-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554932
3-(Methylamino)-4-methylidene-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 89340836

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one?
The IUPAC name of 7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one (CID 20590259) is 7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one.
What is the SMILES notation for 7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one?
The canonical SMILES for 7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one is CNC1CCCC(C)N(Cc2ncncn2)C1=O.
What is the InChIKey of 7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one?
The InChIKey is USSPDBUPSGTRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9-4-3-5-10(13-2)12(18)17(9)6-11-15-7-14-8-16-11/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one?
7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one has a molecular weight of 249.32 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one is sourced from PubChem (CID 20590259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).