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

C4H5N3O2 — CID 91071412

IUPAC5-imino-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\CNC(=O)NC1=O
InChIInChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h5H,1H2,(H2,6,7,8,9)/b5-2+
InChIKeyADEHTDRHFOVNGL-GORDUTHDSA-N
MW127.10 g/mol
LogP-1.15
Rot. Bonds

About 5-imino-1,3-diazinane-2,4-dione

5-imino-1,3-diazinane-2,4-dione (PubChem CID 91071412) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 5-imino-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-imino-1,3-diazinane-2,4-dione
PubChem CID91071412
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name5-imino-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\CNC(=O)NC1=O
InChIInChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h5H,1H2,(H2,6,7,8,9)/b5-2+
InChIKeyADEHTDRHFOVNGL-GORDUTHDSA-N
XLogP-1.15
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 ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dihydrouracil
CID 649
Dihydrouric acid
CID 5315130
Dihydro-1h-purine-2,6-dione
CID 20088927
5-Diazohexahydropyrimidine-2,4-dione
CID 381330
Methyldihydrouric acid
CID 23617137
Dihydropyrimidinedione hydrochloride
CID 73853053
Dihydro Uracil-d4
CID 10678217
5-Mono-deuteriodihydrouracil
CID 129679866
Uric acid-d3
CID 168433336
lithium 4,9-dihydro-3H-purin-1-ide-2,6,8-trione
CID 73555205
5-Diazo-1,3-diazinane-2,4-dione;hydrate
CID 20326442
6-Amino-1,3-diazinane-2,4-dione
CID 20811425

Frequently Asked Questions

What is the IUPAC name of 5-imino-1,3-diazinane-2,4-dione?
The IUPAC name of 5-imino-1,3-diazinane-2,4-dione (CID 91071412) is 5-imino-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-imino-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-imino-1,3-diazinane-2,4-dione is [H]/N=C1\CNC(=O)NC1=O.
What is the InChIKey of 5-imino-1,3-diazinane-2,4-dione?
The InChIKey is ADEHTDRHFOVNGL-GORDUTHDSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h5H,1H2,(H2,6,7,8,9)/b5-2+.
What are the key properties of 5-imino-1,3-diazinane-2,4-dione?
5-imino-1,3-diazinane-2,4-dione has a molecular weight of 127.10 g/mol, XLogP of -1.15, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1,3-diazinane-2,4-dione is sourced from PubChem (CID 91071412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).