1,3-dimethyl-1,3-diazinan-4-one

C6H12N2O — CID 22323482

IUPAC1,3-dimethyl-1,3-diazinan-4-one
SMILESCN1CCC(=O)N(C)C1
InChIInChI=1S/C6H12N2O/c1-7-4-3-6(9)8(2)5-7/h3-5H2,1-2H3
InChIKeyLVTYDRLBOGLTQV-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.26
Rot. Bonds

About 1,3-dimethyl-1,3-diazinan-4-one

1,3-dimethyl-1,3-diazinan-4-one (PubChem CID 22323482) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name1,3-dimethyl-1,3-diazinan-4-one
PubChem CID22323482
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1,3-dimethyl-1,3-diazinan-4-one
SMILESCN1CCC(=O)N(C)C1
InChIInChI=1S/C6H12N2O/c1-7-4-3-6(9)8(2)5-7/h3-5H2,1-2H3
InChIKeyLVTYDRLBOGLTQV-UHFFFAOYSA-N
XLogP-0.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,3-diazinan-4-one?
The IUPAC name of 1,3-dimethyl-1,3-diazinan-4-one (CID 22323482) is 1,3-dimethyl-1,3-diazinan-4-one.
What is the SMILES notation for 1,3-dimethyl-1,3-diazinan-4-one?
The canonical SMILES for 1,3-dimethyl-1,3-diazinan-4-one is CN1CCC(=O)N(C)C1.
What is the InChIKey of 1,3-dimethyl-1,3-diazinan-4-one?
The InChIKey is LVTYDRLBOGLTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-7-4-3-6(9)8(2)5-7/h3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-1,3-diazinan-4-one?
1,3-dimethyl-1,3-diazinan-4-one has a molecular weight of 128.17 g/mol, XLogP of -0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-diazinan-4-one is sourced from PubChem (CID 22323482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).