2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide

C8H12N4O3 — CID 63578895

IUPAC2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide
SMILESCc1c(C)c(=O)n(CC(=O)NN)[nH]c1=O
InChIInChI=1S/C8H12N4O3/c1-4-5(2)8(15)12(11-7(4)14)3-6(13)10-9/h3,9H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyCKJRREBYDNJDBP-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.86
Rot. Bonds2

About 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide

2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide (PubChem CID 63578895) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide
PubChem CID63578895
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide
SMILESCc1c(C)c(=O)n(CC(=O)NN)[nH]c1=O
InChIInChI=1S/C8H12N4O3/c1-4-5(2)8(15)12(11-7(4)14)3-6(13)10-9/h3,9H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyCKJRREBYDNJDBP-UHFFFAOYSA-N
XLogP-1.86
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.86
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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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide?
The IUPAC name of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide (CID 63578895) is 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide.
What is the SMILES notation for 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide?
The canonical SMILES for 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide is Cc1c(C)c(=O)n(CC(=O)NN)[nH]c1=O.
What is the InChIKey of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide?
The InChIKey is CKJRREBYDNJDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-4-5(2)8(15)12(11-7(4)14)3-6(13)10-9/h3,9H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide?
2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide has a molecular weight of 212.21 g/mol, XLogP of -1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide is sourced from PubChem (CID 63578895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).