1-ethyl-1,3-diazinan-2-one

C6H12N2O — CID 21479220

IUPAC1-ethyl-1,3-diazinan-2-one
SMILESCCN1CCCNC1=O
InChIInChI=1S/C6H12N2O/c1-2-8-5-3-4-7-6(8)9/h2-5H2,1H3,(H,7,9)
InChIKeyDBSPZYVXETVRMN-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.42
Rot. Bonds1

About 1-ethyl-1,3-diazinan-2-one

1-ethyl-1,3-diazinan-2-one (PubChem CID 21479220) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-ethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-ethyl-1,3-diazinan-2-one
PubChem CID21479220
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-ethyl-1,3-diazinan-2-one
SMILESCCN1CCCNC1=O
InChIInChI=1S/C6H12N2O/c1-2-8-5-3-4-7-6(8)9/h2-5H2,1H3,(H,7,9)
InChIKeyDBSPZYVXETVRMN-UHFFFAOYSA-N
XLogP0.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-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-ethyl-1,3-diazinan-2-one?
The IUPAC name of 1-ethyl-1,3-diazinan-2-one (CID 21479220) is 1-ethyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-ethyl-1,3-diazinan-2-one?
The canonical SMILES for 1-ethyl-1,3-diazinan-2-one is CCN1CCCNC1=O.
What is the InChIKey of 1-ethyl-1,3-diazinan-2-one?
The InChIKey is DBSPZYVXETVRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-8-5-3-4-7-6(8)9/h2-5H2,1H3,(H,7,9).
What are the key properties of 1-ethyl-1,3-diazinan-2-one?
1-ethyl-1,3-diazinan-2-one has a molecular weight of 128.17 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-diazinan-2-one is sourced from PubChem (CID 21479220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).