N-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H9F2N3O2 — CID 2815286

IUPACN-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(F)cc(F)c2)=NN1
InChIInChI=1S/C11H9F2N3O2/c12-6-3-7(13)5-8(4-6)14-11(18)9-1-2-10(17)16-15-9/h3-5H,1-2H2,(H,14,18)(H,16,17)
InChIKeyPEDVDXYYOKCTFZ-UHFFFAOYSA-N
MW253.21 g/mol
LogP1.17
Rot. Bonds2

About N-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 2815286) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID2815286
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC NameN-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(F)cc(F)c2)=NN1
InChIInChI=1S/C11H9F2N3O2/c12-6-3-7(13)5-8(4-6)14-11(18)9-1-2-10(17)16-15-9/h3-5H,1-2H2,(H,14,18)(H,16,17)
InChIKeyPEDVDXYYOKCTFZ-UHFFFAOYSA-N
XLogP1.17
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 2815286) is N-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2cc(F)cc(F)c2)=NN1.
What is the InChIKey of N-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is PEDVDXYYOKCTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2/c12-6-3-7(13)5-8(4-6)14-11(18)9-1-2-10(17)16-15-9/h3-5H,1-2H2,(H,14,18)(H,16,17).
What are the key properties of N-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 253.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 2815286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).