3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide

C7H10N4O3 — CID 60651180

IUPAC3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide
SMILESNNC(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H10N4O3/c8-9-5(12)3-4-11-7(14)2-1-6(13)10-11/h1-2H,3-4,8H2,(H,9,12)(H,10,13)
InChIKeyIEWFOBBFNVEMJE-UHFFFAOYSA-N
MW198.18 g/mol
LogP-2.08
Rot. Bonds3

About 3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide

3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide (PubChem CID 60651180) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide.

Molecular Properties

Compound Name3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide
PubChem CID60651180
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide
SMILESNNC(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H10N4O3/c8-9-5(12)3-4-11-7(14)2-1-6(13)10-11/h1-2H,3-4,8H2,(H,9,12)(H,10,13)
InChIKeyIEWFOBBFNVEMJE-UHFFFAOYSA-N
XLogP-2.08
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-(2-Formylethyl)-2,3-dihydro-6-hydroxy-3-oxopyridazine
CID 366143
1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
3-Maleimidopropionic acid hydrazide
CID 4401583
1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione
CID 587202
2-(2-Carbamoylethyl)-2,3-dihydro-6-hydroxy-3-oxopyridazine
CID 597095
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanehydrazide hydrochloride
CID 44119989
[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]azanium
CID 59514921
N'-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanehydrazide
CID 140069957
3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide
CID 166060331
3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide
CID 166942003

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide?
The IUPAC name of 3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide (CID 60651180) is 3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide.
What is the SMILES notation for 3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide?
The canonical SMILES for 3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide is NNC(=O)CCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide?
The InChIKey is IEWFOBBFNVEMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c8-9-5(12)3-4-11-7(14)2-1-6(13)10-11/h1-2H,3-4,8H2,(H,9,12)(H,10,13).
What are the key properties of 3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide?
3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide has a molecular weight of 198.18 g/mol, XLogP of -2.08, 3 rotatable bonds, 3 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)propanehydrazide is sourced from PubChem (CID 60651180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).