5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide

C13H10FN5O2 — CID 1263456

IUPAC5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide
SMILESCc1c(C(=O)NN)nn(-c2ccc(F)cc2)c(=O)c1C#N
InChIInChI=1S/C13H10FN5O2/c1-7-10(6-15)13(21)19(18-11(7)12(20)17-16)9-4-2-8(14)3-5-9/h2-5H,16H2,1H3,(H,17,20)
InChIKeyQGQXEFDQCKZHAT-UHFFFAOYSA-N
MW287.25 g/mol
LogP0.16
Rot. Bonds2

About 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide

5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide (PubChem CID 1263456) has the molecular formula C13H10FN5O2 and a molecular weight of 287.25 g/mol. Its IUPAC name is 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound Name5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide
PubChem CID1263456
Molecular FormulaC13H10FN5O2
Molecular Weight287.25 g/mol
Exact Mass287.08
IUPAC Name5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide
SMILESCc1c(C(=O)NN)nn(-c2ccc(F)cc2)c(=O)c1C#N
InChIInChI=1S/C13H10FN5O2/c1-7-10(6-15)13(21)19(18-11(7)12(20)17-16)9-4-2-8(14)3-5-9/h2-5H,16H2,1H3,(H,17,20)
InChIKeyQGQXEFDQCKZHAT-UHFFFAOYSA-N
XLogP0.16
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide (CID 1263456) is 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide is Cc1c(C(=O)NN)nn(-c2ccc(F)cc2)c(=O)c1C#N.
What is the InChIKey of 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide?
The InChIKey is QGQXEFDQCKZHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2/c1-7-10(6-15)13(21)19(18-11(7)12(20)17-16)9-4-2-8(14)3-5-9/h2-5H,16H2,1H3,(H,17,20).
What are the key properties of 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide?
5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide has a molecular weight of 287.25 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 1263456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).