(4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one

C8H10FN3O — CID 168911310

IUPAC(4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one
SMILES[H]/N=C1\C(=O)NN=C\C1=C(\CC)CF
InChIInChI=1S/C8H10FN3O/c1-2-5(3-9)6-4-11-12-8(13)7(6)10/h4,10H,2-3H2,1H3,(H,12,13)/b6-5+,10-7-
InChIKeyGJGUKZFPYBCUAD-LXGGSRJLSA-N
MW183.19 g/mol
LogP0.80
Rot. Bonds2

About (4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one

(4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one (PubChem CID 168911310) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is (4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one
PubChem CID168911310
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name(4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one
SMILES[H]/N=C1\C(=O)NN=C\C1=C(\CC)CF
InChIInChI=1S/C8H10FN3O/c1-2-5(3-9)6-4-11-12-8(13)7(6)10/h4,10H,2-3H2,1H3,(H,12,13)/b6-5+,10-7-
InChIKeyGJGUKZFPYBCUAD-LXGGSRJLSA-N
XLogP0.80
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one?
The IUPAC name of (4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one (CID 168911310) is (4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one.
What is the SMILES notation for (4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one?
The canonical SMILES for (4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one is [H]/N=C1\C(=O)NN=C\C1=C(\CC)CF.
What is the InChIKey of (4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one?
The InChIKey is GJGUKZFPYBCUAD-LXGGSRJLSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-2-5(3-9)6-4-11-12-8(13)7(6)10/h4,10H,2-3H2,1H3,(H,12,13)/b6-5+,10-7-.
What are the key properties of (4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one?
(4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one has a molecular weight of 183.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(1-fluorobutan-2-ylidene)-5-imino-1H-pyridazin-6-one is sourced from PubChem (CID 168911310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).