2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one

C16H12ClFN4O2 — CID 119099447

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one
SMILESO=c1ccc(-c2nc(C3CC3)no2)nn1Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H12ClFN4O2/c17-12-7-11(18)4-3-10(12)8-22-14(23)6-5-13(20-22)16-19-15(21-24-16)9-1-2-9/h3-7,9H,1-2,8H2
InChIKeyRGOPPETWWLTFQS-UHFFFAOYSA-N
MW346.75 g/mol
LogP3.01
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one

2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one (PubChem CID 119099447) has the molecular formula C16H12ClFN4O2 and a molecular weight of 346.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one
PubChem CID119099447
Molecular FormulaC16H12ClFN4O2
Molecular Weight346.75 g/mol
Exact Mass346.06
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one
SMILESO=c1ccc(-c2nc(C3CC3)no2)nn1Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H12ClFN4O2/c17-12-7-11(18)4-3-10(12)8-22-14(23)6-5-13(20-22)16-19-15(21-24-16)9-1-2-9/h3-7,9H,1-2,8H2
InChIKeyRGOPPETWWLTFQS-UHFFFAOYSA-N
XLogP3.01
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one (CID 119099447) is 2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one is O=c1ccc(-c2nc(C3CC3)no2)nn1Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one?
The InChIKey is RGOPPETWWLTFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2/c17-12-7-11(18)4-3-10(12)8-22-14(23)6-5-13(20-22)16-19-15(21-24-16)9-1-2-9/h3-7,9H,1-2,8H2.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one?
2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one has a molecular weight of 346.75 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one is sourced from PubChem (CID 119099447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).