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

C8H13ClN4O2 — CID 10105366

IUPAC4-chloro-5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one
SMILESNNc1cnn(CCCCO)c(=O)c1Cl
InChIInChI=1S/C8H13ClN4O2/c9-7-6(12-10)5-11-13(8(7)15)3-1-2-4-14/h5,12,14H,1-4,10H2
InChIKeyZFCWGLAIKDMJHJ-UHFFFAOYSA-N
MW232.67 g/mol
LogP-0.05
Rot. Bonds5

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

4-chloro-5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one (PubChem CID 10105366) has the molecular formula C8H13ClN4O2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-chloro-5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one
PubChem CID10105366
Molecular FormulaC8H13ClN4O2
Molecular Weight232.67 g/mol
Exact Mass232.07
IUPAC Name4-chloro-5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one
SMILESNNc1cnn(CCCCO)c(=O)c1Cl
InChIInChI=1S/C8H13ClN4O2/c9-7-6(12-10)5-11-13(8(7)15)3-1-2-4-14/h5,12,14H,1-4,10H2
InChIKeyZFCWGLAIKDMJHJ-UHFFFAOYSA-N
XLogP-0.05
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 5-0.05
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 4-chloro-5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one (CID 10105366) is 4-chloro-5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one is NNc1cnn(CCCCO)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one?
The InChIKey is ZFCWGLAIKDMJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2/c9-7-6(12-10)5-11-13(8(7)15)3-1-2-4-14/h5,12,14H,1-4,10H2.
What are the key properties of 4-chloro-5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one?
4-chloro-5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one has a molecular weight of 232.67 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one is sourced from PubChem (CID 10105366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).