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

C6H8N4O3 — CID 3809948

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide
SMILESNNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C6H8N4O3/c7-8-5(12)3-10-6(13)2-1-4(11)9-10/h1-2H,3,7H2,(H,8,12)(H,9,11)
InChIKeyQVVDJIITEREZSG-UHFFFAOYSA-N
MW184.16 g/mol
LogP-2.47
Rot. Bonds2

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

2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide (PubChem CID 3809948) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide
PubChem CID3809948
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide
SMILESNNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C6H8N4O3/c7-8-5(12)3-10-6(13)2-1-4(11)9-10/h1-2H,3,7H2,(H,8,12)(H,9,11)
InChIKeyQVVDJIITEREZSG-UHFFFAOYSA-N
XLogP-2.47
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-2.47
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

1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
2-(5-Fluoro-2-oxo-1-pyridinyl)acetohydrazide
CID 84313519
2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 3595132
2-(2-oxopyridin-1(2H)-yl)acetohydrazide
CID 7130980
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
2-[2-(2,5-Dioxopyrrol-1-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 23557818
2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetohydrazide
CID 45089030
CID 58044780
CID 58044780
2-(2-oxopropyl)-1H-pyridazine-3,6-dione
CID 58815500
2-(6-Oxopyridazin-1-yl)acetohydrazide
CID 63579057
2-(2,5-Dioxopyrrol-1-yl)propanehydrazide
CID 66836198

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide (CID 3809948) is 2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide is NNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide?
The InChIKey is QVVDJIITEREZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c7-8-5(12)3-10-6(13)2-1-4(11)9-10/h1-2H,3,7H2,(H,8,12)(H,9,11).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide?
2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide has a molecular weight of 184.16 g/mol, XLogP of -2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide is sourced from PubChem (CID 3809948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).