5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one

C10H12BrN3O — CID 114386158

IUPAC5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CC=CCC2)c1Br
InChIInChI=1S/C10H12BrN3O/c11-9-8(6-12-14-10(9)15)13-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H2,13,14,15)
InChIKeyFIRPRIXKOQIWBN-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.05
Rot. Bonds2

About 5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one

5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one (PubChem CID 114386158) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one
PubChem CID114386158
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CC=CCC2)c1Br
InChIInChI=1S/C10H12BrN3O/c11-9-8(6-12-14-10(9)15)13-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H2,13,14,15)
InChIKeyFIRPRIXKOQIWBN-UHFFFAOYSA-N
XLogP2.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one (CID 114386158) is 5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one is O=c1[nH]ncc(NC2CC=CCC2)c1Br.
What is the InChIKey of 5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one?
The InChIKey is FIRPRIXKOQIWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c11-9-8(6-12-14-10(9)15)13-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H2,13,14,15).
What are the key properties of 5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one?
5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one has a molecular weight of 270.13 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114386158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).