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

C13H11FN4O3 — CID 51145335

IUPACN'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2ccccc2F)ccc1=O
InChIInChI=1S/C13H11FN4O3/c1-18-11(19)7-6-10(17-18)13(21)16-15-12(20)8-4-2-3-5-9(8)14/h2-7H,1H3,(H,15,20)(H,16,21)
InChIKeyCHRGAIWHSJAOEX-UHFFFAOYSA-N
MW290.25 g/mol
LogP-0.01
Rot. Bonds2

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

N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide (PubChem CID 51145335) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
PubChem CID51145335
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC NameN'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2ccccc2F)ccc1=O
InChIInChI=1S/C13H11FN4O3/c1-18-11(19)7-6-10(17-18)13(21)16-15-12(20)8-4-2-3-5-9(8)14/h2-7H,1H3,(H,15,20)(H,16,21)
InChIKeyCHRGAIWHSJAOEX-UHFFFAOYSA-N
XLogP-0.01
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 5-0.01
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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Related Compounds

1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide
CID 51145336
1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide
CID 24588173
N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17429467
1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 9465629
N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide
CID 51163217
1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
CID 51166600
N'-(2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 27661912
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 96526002
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
N-[2-(cyclopentylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 8933933
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide (CID 51145335) is N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide is Cn1nc(C(=O)NNC(=O)c2ccccc2F)ccc1=O.
What is the InChIKey of N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
The InChIKey is CHRGAIWHSJAOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c1-18-11(19)7-6-10(17-18)13(21)16-15-12(20)8-4-2-3-5-9(8)14/h2-7H,1H3,(H,15,20)(H,16,21).
What are the key properties of N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide has a molecular weight of 290.25 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 51145335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).