5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one

C11H13BrN4O — CID 5396904

IUPAC5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C\[C@H]2CC=CCC2)c1Br
InChIInChI=1S/C11H13BrN4O/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-/t8-/m0/s1
InChIKeyQDARSAKWKPQOII-BYODANBRSA-N
MW297.16 g/mol
LogP2.29
Rot. Bonds3

About 5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one

5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 5396904) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID5396904
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C\[C@H]2CC=CCC2)c1Br
InChIInChI=1S/C11H13BrN4O/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-/t8-/m0/s1
InChIKeyQDARSAKWKPQOII-BYODANBRSA-N
XLogP2.29
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.29
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-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 5396904) is 5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one is O=c1[nH]ncc(N/N=C\[C@H]2CC=CCC2)c1Br.
What is the InChIKey of 5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is QDARSAKWKPQOII-BYODANBRSA-N. The full InChI is InChI=1S/C11H13BrN4O/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-/t8-/m0/s1.
What are the key properties of 5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 297.16 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 5396904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).