3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide

C8H12N4O3 — CID 105062228

IUPAC3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide
SMILESCOc1ccc(=O)n(CCC(=O)NN)n1
InChIInChI=1S/C8H12N4O3/c1-15-7-2-3-8(14)12(11-7)5-4-6(13)10-9/h2-3H,4-5,9H2,1H3,(H,10,13)
InChIKeyDABRIBFNYWZVJG-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.37
Rot. Bonds4

About 3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide

3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide (PubChem CID 105062228) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide
PubChem CID105062228
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide
SMILESCOc1ccc(=O)n(CCC(=O)NN)n1
InChIInChI=1S/C8H12N4O3/c1-15-7-2-3-8(14)12(11-7)5-4-6(13)10-9/h2-3H,4-5,9H2,1H3,(H,10,13)
InChIKeyDABRIBFNYWZVJG-UHFFFAOYSA-N
XLogP-1.37
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.37
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

2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-(3-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061504
2-(3-Amino-2-methylpropyl)-6-methoxypyridazin-3-one
CID 105061509
2-Amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061569
6-Methoxy-2-[3-(methylamino)propyl]pyridazin-3-one
CID 105061675
6-Methoxy-2-[3-(propylamino)propyl]pyridazin-3-one
CID 105061699
2-[3-(Ethylamino)propyl]-6-methoxypyridazin-3-one
CID 105061700
N-(3-amino-3-sulfanylidenepropyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide
CID 105061820
2-(3-Azidopropyl)-6-methoxypyridazin-3-one
CID 105061961
3-(3-Methoxy-6-oxopyridazin-1-yl)propanamide
CID 105062031
2-(3-Methoxy-6-oxopyridazin-1-yl)acetohydrazide
CID 105062229
4-(3-Methoxy-6-oxopyridazin-1-yl)butanehydrazide
CID 105062230

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide?
The IUPAC name of 3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide (CID 105062228) is 3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide?
The canonical SMILES for 3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide is COc1ccc(=O)n(CCC(=O)NN)n1.
What is the InChIKey of 3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide?
The InChIKey is DABRIBFNYWZVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-15-7-2-3-8(14)12(11-7)5-4-6(13)10-9/h2-3H,4-5,9H2,1H3,(H,10,13).
What are the key properties of 3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide?
3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide has a molecular weight of 212.21 g/mol, XLogP of -1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide is sourced from PubChem (CID 105062228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).