5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one

C8H14N4O2 — CID 10375473

IUPAC5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one
SMILESNNc1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C8H14N4O2/c9-11-7-5-8(14)12(10-6-7)3-1-2-4-13/h5-6,11,13H,1-4,9H2
InChIKeyPOFVYGSDHBLTCJ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.70
Rot. Bonds5

About 5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one

5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one (PubChem CID 10375473) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one
PubChem CID10375473
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one
SMILESNNc1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C8H14N4O2/c9-11-7-5-8(14)12(10-6-7)3-1-2-4-13/h5-6,11,13H,1-4,9H2
InChIKeyPOFVYGSDHBLTCJ-UHFFFAOYSA-N
XLogP-0.70
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one?
The IUPAC name of 5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one (CID 10375473) is 5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one.
What is the SMILES notation for 5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one?
The canonical SMILES for 5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one is NNc1cnn(CCCCO)c(=O)c1.
What is the InChIKey of 5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one?
The InChIKey is POFVYGSDHBLTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c9-11-7-5-8(14)12(10-6-7)3-1-2-4-13/h5-6,11,13H,1-4,9H2.
What are the key properties of 5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one?
5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one has a molecular weight of 198.23 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one is sourced from PubChem (CID 10375473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).