5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione

C5H6N4O3 — CID 124528059

IUPAC5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione
SMILESN/N=C\C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C5H6N4O3/c6-7-1-2-3(10)8-5(12)9-4(2)11/h1-2H,6H2,(H2,8,9,10,11,12)/b7-1-
InChIKeyNTPVENJLTFSAGR-XFSBKJJWSA-N
MW170.13 g/mol
LogP-2.09
Rot. Bonds1

About 5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione

5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 124528059) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is 5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione
PubChem CID124528059
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Name5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione
SMILESN/N=C\C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C5H6N4O3/c6-7-1-2-3(10)8-5(12)9-4(2)11/h1-2H,6H2,(H2,8,9,10,11,12)/b7-1-
InChIKeyNTPVENJLTFSAGR-XFSBKJJWSA-N
XLogP-2.09
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione
CID 73334132
5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 73334133
5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione
CID 73334136
5-[(E)-5H-tetrazol-5-yliminomethyl]-1,3-diazinane-2,4,6-trione
CID 76313822
1h-Pyrazolo[3,4-d]pyrimidine-4,6(3ah,5h)-dione
CID 136170859
5-(5H-tetrazol-5-yliminomethyl)-1,3-diazinane-2,4,6-trione
CID 172024245
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(iminomethyl)-
CID 7426990
5-(Methyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 122496393
5-[(Methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione
CID 173575703
5-Methanehydrazonoyl-1,3-diazinane-2,4,6-trione
CID 173575715
5-Methanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 173575720
5-Pyrimidinecarboxaldehyde,hexahydro-2,4,6-trioxo-, 5-oxime
CID 351585

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione (CID 124528059) is 5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione is N/N=C\C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is NTPVENJLTFSAGR-XFSBKJJWSA-N. The full InChI is InChI=1S/C5H6N4O3/c6-7-1-2-3(10)8-5(12)9-4(2)11/h1-2H,6H2,(H2,8,9,10,11,12)/b7-1-.
What are the key properties of 5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione?
5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 170.13 g/mol, XLogP of -2.09, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 124528059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).