1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide

C19H15FN4O3 — CID 51145336

IUPAC1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H15FN4O3/c20-15-9-5-4-8-14(15)18(26)21-22-19(27)16-10-11-17(25)24(23-16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,21,26)(H,22,27)
InChIKeyPPXOHBMSWKPCPV-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.51
Rot. Bonds4

About 1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide

1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide (PubChem CID 51145336) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is 1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide
PubChem CID51145336
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H15FN4O3/c20-15-9-5-4-8-14(15)18(26)21-22-19(27)16-10-11-17(25)24(23-16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,21,26)(H,22,27)
InChIKeyPPXOHBMSWKPCPV-UHFFFAOYSA-N
XLogP1.51
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide (CID 51145336) is 1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide is O=C(NNC(=O)c1ccccc1F)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide?
The InChIKey is PPXOHBMSWKPCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c20-15-9-5-4-8-14(15)18(26)21-22-19(27)16-10-11-17(25)24(23-16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,21,26)(H,22,27).
What are the key properties of 1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide?
1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide has a molecular weight of 366.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 51145336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).