5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one

C11H13ClN4O — CID 6249191

IUPAC5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C\C2CC=CCC2)c1Cl
InChIInChI=1S/C11H13ClN4O/c12-10-9(7-14-16-11(10)17)15-13-6-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H2,15,16,17)/b13-6-
InChIKeyCBQJHXGQKHBAPM-MLPAPPSSSA-N
MW252.70 g/mol
LogP2.18
Rot. Bonds3

About 5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one (PubChem CID 6249191) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
PubChem CID6249191
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C\C2CC=CCC2)c1Cl
InChIInChI=1S/C11H13ClN4O/c12-10-9(7-14-16-11(10)17)15-13-6-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H2,15,16,17)/b13-6-
InChIKeyCBQJHXGQKHBAPM-MLPAPPSSSA-N
XLogP2.18
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one (CID 6249191) is 5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one is O=c1[nH]ncc(N/N=C\C2CC=CCC2)c1Cl.
What is the InChIKey of 5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is CBQJHXGQKHBAPM-MLPAPPSSSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-10-9(7-14-16-11(10)17)15-13-6-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H2,15,16,17)/b13-6-.
What are the key properties of 5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 252.70 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 6249191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).