1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one

C6H12N2O2 — CID 20648430

IUPAC1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(CO)C1=O
InChIInChI=1S/C6H12N2O2/c1-7-3-2-4-8(5-9)6(7)10/h9H,2-5H2,1H3
InChIKeyGLYNBOHVGVYEBC-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.31
Rot. Bonds1

About 1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one

1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one (PubChem CID 20648430) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one
PubChem CID20648430
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(CO)C1=O
InChIInChI=1S/C6H12N2O2/c1-7-3-2-4-8(5-9)6(7)10/h9H,2-5H2,1H3
InChIKeyGLYNBOHVGVYEBC-UHFFFAOYSA-N
XLogP-0.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(hydroxymethyl)-3-methyl-1,3-diazinan-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

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one?
The IUPAC name of 1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one (CID 20648430) is 1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one?
The canonical SMILES for 1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one is CN1CCCN(CO)C1=O.
What is the InChIKey of 1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one?
The InChIKey is GLYNBOHVGVYEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-7-3-2-4-8(5-9)6(7)10/h9H,2-5H2,1H3.
What are the key properties of 1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one?
1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one has a molecular weight of 144.17 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 20648430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).