3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide

C9H14N4O3 — CID 9179928

IUPAC3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H14N4O3/c1-12(2)10-8(15)5-6-13-9(16)4-3-7(14)11-13/h3-4H,5-6H2,1-2H3,(H,10,15)(H,11,14)
InChIKeyPXZNDCKDZIZRID-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.48
Rot. Bonds4

About 3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide

3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide (PubChem CID 9179928) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide
PubChem CID9179928
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H14N4O3/c1-12(2)10-8(15)5-6-13-9(16)4-3-7(14)11-13/h3-4H,5-6H2,1-2H3,(H,10,15)(H,11,14)
InChIKeyPXZNDCKDZIZRID-UHFFFAOYSA-N
XLogP-1.48
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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3-Maleimidopropionic acid hydrazide
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1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
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1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione
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1-(2-Methylbut-2-enoyl)pyrazolidin-3-one
CID 90768551
2-(2-Carbamoylethyl)-2,3-dihydro-6-hydroxy-3-oxopyridazine
CID 597095
6-hydroxy-2-isopropyl-3(2H)-pyridazinone
CID 11378616
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
2-(aminomethyl)-N-[3-[(prop-2-enoylamino)-propylamino]propyl]prop-2-enamide
CID 53999140
[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]azanium
CID 59514921
2-pentyl-1H-pyridazine-3,6-dione
CID 70599423

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide?
The IUPAC name of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide (CID 9179928) is 3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for 3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide?
The canonical SMILES for 3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide is CN(C)NC(=O)CCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide?
The InChIKey is PXZNDCKDZIZRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-12(2)10-8(15)5-6-13-9(16)4-3-7(14)11-13/h3-4H,5-6H2,1-2H3,(H,10,15)(H,11,14).
What are the key properties of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide?
3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide has a molecular weight of 226.24 g/mol, XLogP of -1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 9179928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).