1,3-diazinan-4-one;molecular hydrogen

C4H10N2O — CID 163399030

IUPAC1,3-diazinan-4-one;molecular hydrogen
SMILESO=C1CCNCN1.[H][H]
InChIInChI=1S/C4H8N2O.H2/c7-4-1-2-5-3-6-4;/h5H,1-3H2,(H,6,7);1H
InChIKeyHXYLNMSENRAZAQ-UHFFFAOYSA-N
MW102.14 g/mol
LogP-0.70
Rot. Bonds

About 1,3-diazinan-4-one;molecular hydrogen

1,3-diazinan-4-one;molecular hydrogen (PubChem CID 163399030) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is 1,3-diazinan-4-one;molecular hydrogen.

Molecular Properties

Compound Name1,3-diazinan-4-one;molecular hydrogen
PubChem CID163399030
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name1,3-diazinan-4-one;molecular hydrogen
SMILESO=C1CCNCN1.[H][H]
InChIInChI=1S/C4H8N2O.H2/c7-4-1-2-5-3-6-4;/h5H,1-3H2,(H,6,7);1H
InChIKeyHXYLNMSENRAZAQ-UHFFFAOYSA-N
XLogP-0.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,3-diazinan-4-one;molecular hydrogen 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

1,4,7,10-tetrazacyclotridecan-11-one
CID 12059274
imidazolidine;pyrrolidin-2-one
CID 174576578
1,4,9,12-tetrazacyclohexadecane-5,8,13,16-tetrone
CID 12581071
1,4-diazepan-5-one;pyrrolidine
CID 159258504
ethane;imidazolidin-4-one
CID 144840604
1,4,10,13-tetrazacyclooctadecane-5,9,14,18-tetrone
CID 10481144
astatane;pyrrolidin-2-one
CID 174831438
arsane;pyrrolidin-2-one
CID 174413202
pyrrolidin-2-one;hydrate
CID 19382566
7-chloro-1,3,7-triazecane-4,10-dione
CID 130007396
ethene;bis(pyrrolidin-2-one)
CID 67822125
ethane;pyrrolidin-2-one
CID 54451151

Frequently Asked Questions

What is the IUPAC name of 1,3-diazinan-4-one;molecular hydrogen?
The IUPAC name of 1,3-diazinan-4-one;molecular hydrogen (CID 163399030) is 1,3-diazinan-4-one;molecular hydrogen.
What is the SMILES notation for 1,3-diazinan-4-one;molecular hydrogen?
The canonical SMILES for 1,3-diazinan-4-one;molecular hydrogen is O=C1CCNCN1.[H][H].
What is the InChIKey of 1,3-diazinan-4-one;molecular hydrogen?
The InChIKey is HXYLNMSENRAZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.H2/c7-4-1-2-5-3-6-4;/h5H,1-3H2,(H,6,7);1H.
What are the key properties of 1,3-diazinan-4-one;molecular hydrogen?
1,3-diazinan-4-one;molecular hydrogen has a molecular weight of 102.14 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinan-4-one;molecular hydrogen is sourced from PubChem (CID 163399030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).