2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide

C8H12N4O3 — CID 105062237

IUPAC2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide
SMILESCOc1ccc(=O)n(C(C)C(=O)NN)n1
InChIInChI=1S/C8H12N4O3/c1-5(8(14)10-9)12-7(13)4-3-6(11-12)15-2/h3-5H,9H2,1-2H3,(H,10,14)
InChIKeyYXWWSQOUCZJHAX-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.20
Rot. Bonds3

About 2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide

2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide (PubChem CID 105062237) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide
PubChem CID105062237
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide
SMILESCOc1ccc(=O)n(C(C)C(=O)NN)n1
InChIInChI=1S/C8H12N4O3/c1-5(8(14)10-9)12-7(13)4-3-6(11-12)15-2/h3-5H,9H2,1-2H3,(H,10,14)
InChIKeyYXWWSQOUCZJHAX-UHFFFAOYSA-N
XLogP-1.20
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.20
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide?
The IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide (CID 105062237) is 2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide.
What is the SMILES notation for 2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide?
The canonical SMILES for 2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide is COc1ccc(=O)n(C(C)C(=O)NN)n1.
What is the InChIKey of 2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide?
The InChIKey is YXWWSQOUCZJHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-5(8(14)10-9)12-7(13)4-3-6(11-12)15-2/h3-5H,9H2,1-2H3,(H,10,14).
What are the key properties of 2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide?
2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide has a molecular weight of 212.21 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-6-oxopyridazin-1-yl)propanehydrazide is sourced from PubChem (CID 105062237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).