6-imino-1,3-diazinane-2,4-dione

C4H5N3O2 — CID 137321682

IUPAC6-imino-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\CC(=O)NC(=O)N1
InChIInChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H2,(H3,5,6,7,8,9)
InChIKeyBLOCGUWRFAOSFW-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.81
Rot. Bonds

About 6-imino-1,3-diazinane-2,4-dione

6-imino-1,3-diazinane-2,4-dione (PubChem CID 137321682) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 6-imino-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-imino-1,3-diazinane-2,4-dione
PubChem CID137321682
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name6-imino-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\CC(=O)NC(=O)N1
InChIInChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H2,(H3,5,6,7,8,9)
InChIKeyBLOCGUWRFAOSFW-UHFFFAOYSA-N
XLogP-0.81
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-imino-1,3-diazinane-2,4-dione 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 6-imino-1,3-diazinane-2,4-dione?
The IUPAC name of 6-imino-1,3-diazinane-2,4-dione (CID 137321682) is 6-imino-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-imino-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-imino-1,3-diazinane-2,4-dione is [H]/N=C1\CC(=O)NC(=O)N1.
What is the InChIKey of 6-imino-1,3-diazinane-2,4-dione?
The InChIKey is BLOCGUWRFAOSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H2,(H3,5,6,7,8,9).
What are the key properties of 6-imino-1,3-diazinane-2,4-dione?
6-imino-1,3-diazinane-2,4-dione has a molecular weight of 127.10 g/mol, XLogP of -0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1,3-diazinane-2,4-dione is sourced from PubChem (CID 137321682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).