2,4-dioxo-1,3-diazinane-5-carbohydrazide

C5H8N4O3 — CID 76845087

IUPAC2,4-dioxo-1,3-diazinane-5-carbohydrazide
SMILESNNC(=O)C1CNC(=O)NC1=O
InChIInChI=1S/C5H8N4O3/c6-9-4(11)2-1-7-5(12)8-3(2)10/h2H,1,6H2,(H,9,11)(H2,7,8,10,12)
InChIKeyWMAIISJDUCHWRJ-UHFFFAOYSA-N
MW172.14 g/mol
LogP-2.57
Rot. Bonds1

About 2,4-dioxo-1,3-diazinane-5-carbohydrazide

2,4-dioxo-1,3-diazinane-5-carbohydrazide (PubChem CID 76845087) has the molecular formula C5H8N4O3 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2,4-dioxo-1,3-diazinane-5-carbohydrazide.

Molecular Properties

Compound Name2,4-dioxo-1,3-diazinane-5-carbohydrazide
PubChem CID76845087
Molecular FormulaC5H8N4O3
Molecular Weight172.14 g/mol
Exact Mass172.06
IUPAC Name2,4-dioxo-1,3-diazinane-5-carbohydrazide
SMILESNNC(=O)C1CNC(=O)NC1=O
InChIInChI=1S/C5H8N4O3/c6-9-4(11)2-1-7-5(12)8-3(2)10/h2H,1,6H2,(H,9,11)(H2,7,8,10,12)
InChIKeyWMAIISJDUCHWRJ-UHFFFAOYSA-N
XLogP-2.57
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxoimidazolidine-4-carbohydrazide
CID 70566871
3-(2,4-dioxo-1,3-diazinan-5-yl)prop-2-enoic acid
CID 78176268
(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822739
(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822738
5-iodo-1,3-diazinane-2,4-dione
CID 1283
5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione
CID 10654245
[(5S)-2,4-dioxo-1,3-diazinan-5-yl]boronic acid
CID 99773061
6-oxopiperidine-3-carbohydrazide
CID 126970948
N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide
CID 170579335
2-oxocyclohexane-1-carbohydrazide
CID 45084441
5-(ethylamino)-1,3-diazinane-2,4-dione
CID 45036964
5-nitro-1,3-diazinane-2,4-dione
CID 15858687

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1,3-diazinane-5-carbohydrazide?
The IUPAC name of 2,4-dioxo-1,3-diazinane-5-carbohydrazide (CID 76845087) is 2,4-dioxo-1,3-diazinane-5-carbohydrazide.
What is the SMILES notation for 2,4-dioxo-1,3-diazinane-5-carbohydrazide?
The canonical SMILES for 2,4-dioxo-1,3-diazinane-5-carbohydrazide is NNC(=O)C1CNC(=O)NC1=O.
What is the InChIKey of 2,4-dioxo-1,3-diazinane-5-carbohydrazide?
The InChIKey is WMAIISJDUCHWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3/c6-9-4(11)2-1-7-5(12)8-3(2)10/h2H,1,6H2,(H,9,11)(H2,7,8,10,12).
What are the key properties of 2,4-dioxo-1,3-diazinane-5-carbohydrazide?
2,4-dioxo-1,3-diazinane-5-carbohydrazide has a molecular weight of 172.14 g/mol, XLogP of -2.57, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1,3-diazinane-5-carbohydrazide is sourced from PubChem (CID 76845087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).