6-ethyl-1,3-diazinan-4-one

C6H12N2O — CID 71303953

IUPAC6-ethyl-1,3-diazinan-4-one
SMILESCCC1CC(=O)NCN1
InChIInChI=1S/C6H12N2O/c1-2-5-3-6(9)8-4-7-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyCTMZQLQXZRRQSM-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.17
Rot. Bonds1

About 6-ethyl-1,3-diazinan-4-one

6-ethyl-1,3-diazinan-4-one (PubChem CID 71303953) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 6-ethyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-ethyl-1,3-diazinan-4-one
PubChem CID71303953
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name6-ethyl-1,3-diazinan-4-one
SMILESCCC1CC(=O)NCN1
InChIInChI=1S/C6H12N2O/c1-2-5-3-6(9)8-4-7-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyCTMZQLQXZRRQSM-UHFFFAOYSA-N
XLogP-0.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-1,3-diazinan-4-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

(5S)-5-ethylpiperazin-2-one
CID 93005355
(4S)-4-propylazetidin-2-one
CID 18603540
7-ethyl-5-oxo-1,4-diazepane-2-carboxylic acid
CID 105442020
(4S)-4-propylazetidin-2-one;hydrochloride
CID 66909952
2-ethylazepan-4-one
CID 70067694
(2R)-2-ethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 121277645
(4S,6R)-6-ethyl-4-methylpiperidin-2-one
CID 129374994
4-ethylpyrrolidin-2-one;2-methylpropane;propane
CID 144516344
2-ethyl-2,3-dihydro-1H-pyridin-4-one
CID 55300096
(4R)-4-(methylsulfanylmethyl)azetidin-2-one
CID 20641349
4-(fluoromethyl)azetidin-2-one
CID 54536465
4-heptyl-1,5-diazonan-2-one
CID 10988412

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-diazinan-4-one?
The IUPAC name of 6-ethyl-1,3-diazinan-4-one (CID 71303953) is 6-ethyl-1,3-diazinan-4-one.
What is the SMILES notation for 6-ethyl-1,3-diazinan-4-one?
The canonical SMILES for 6-ethyl-1,3-diazinan-4-one is CCC1CC(=O)NCN1.
What is the InChIKey of 6-ethyl-1,3-diazinan-4-one?
The InChIKey is CTMZQLQXZRRQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-5-3-6(9)8-4-7-5/h5,7H,2-4H2,1H3,(H,8,9).
What are the key properties of 6-ethyl-1,3-diazinan-4-one?
6-ethyl-1,3-diazinan-4-one has a molecular weight of 128.18 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-diazinan-4-one is sourced from PubChem (CID 71303953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).