5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide

C9H14N4O3 — CID 63573746

IUPAC5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H14N4O3/c10-11-7(14)3-1-2-6-13-9(16)5-4-8(15)12-13/h4-5H,1-3,6,10H2,(H,11,14)(H,12,15)
InChIKeyIOMUCOWNNMZTHI-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.30
Rot. Bonds5

About 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide

5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide (PubChem CID 63573746) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide
PubChem CID63573746
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H14N4O3/c10-11-7(14)3-1-2-6-13-9(16)5-4-8(15)12-13/h4-5H,1-3,6,10H2,(H,11,14)(H,12,15)
InChIKeyIOMUCOWNNMZTHI-UHFFFAOYSA-N
XLogP-1.30
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide?
The IUPAC name of 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide (CID 63573746) is 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide.
What is the SMILES notation for 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide?
The canonical SMILES for 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide is NNC(=O)CCCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide?
The InChIKey is IOMUCOWNNMZTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c10-11-7(14)3-1-2-6-13-9(16)5-4-8(15)12-13/h4-5H,1-3,6,10H2,(H,11,14)(H,12,15).
What are the key properties of 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide?
5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide has a molecular weight of 226.24 g/mol, XLogP of -1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide is sourced from PubChem (CID 63573746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).