4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide

C9H14N4O3 — CID 105062230

IUPAC4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide
SMILESCOc1ccc(=O)n(CCCC(=O)NN)n1
InChIInChI=1S/C9H14N4O3/c1-16-8-4-5-9(15)13(12-8)6-2-3-7(14)11-10/h4-5H,2-3,6,10H2,1H3,(H,11,14)
InChIKeyJWNAOGNLJABDQQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.98
Rot. Bonds5

About 4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide

4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide (PubChem CID 105062230) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide
PubChem CID105062230
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide
SMILESCOc1ccc(=O)n(CCCC(=O)NN)n1
InChIInChI=1S/C9H14N4O3/c1-16-8-4-5-9(15)13(12-8)6-2-3-7(14)11-10/h4-5H,2-3,6,10H2,1H3,(H,11,14)
InChIKeyJWNAOGNLJABDQQ-UHFFFAOYSA-N
XLogP-0.98
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-(6-Oxopyridazin-1-yl)butanehydrazide
CID 63579234
2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
3-(3-Methoxy-6-oxopyridazin-1-yl)propanamide
CID 105062031
3-(3-Methoxy-6-oxopyridazin-1-yl)propanehydrazide
CID 105062228
2-(3-Methoxy-6-oxopyridazin-1-yl)acetohydrazide
CID 105062229
2-(3-Methoxy-6-oxopyridazin-1-yl)propanehydrazide
CID 105062237
3-(3-Methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide
CID 105062241
6-(3-Methoxy-6-oxopyridazin-1-yl)hexanehydrazide
CID 113675840
5-(3-Methoxy-6-oxopyridazin-1-yl)pentanehydrazide
CID 113675841

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide?
The IUPAC name of 4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide (CID 105062230) is 4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide.
What is the SMILES notation for 4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide?
The canonical SMILES for 4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide is COc1ccc(=O)n(CCCC(=O)NN)n1.
What is the InChIKey of 4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide?
The InChIKey is JWNAOGNLJABDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-16-8-4-5-9(15)13(12-8)6-2-3-7(14)11-10/h4-5H,2-3,6,10H2,1H3,(H,11,14).
What are the key properties of 4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide?
4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide has a molecular weight of 226.24 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-6-oxopyridazin-1-yl)butanehydrazide is sourced from PubChem (CID 105062230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).