4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one

C18H16FN3O — CID 82444027

IUPAC4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(F)cc2)cc(C(N)c2ccccc2)c1=O
InChIInChI=1S/C18H16FN3O/c1-22-18(23)15(17(20)13-5-3-2-4-6-13)11-16(21-22)12-7-9-14(19)10-8-12/h2-11,17H,20H2,1H3
InChIKeyBDAMIVZPAPXGJH-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.63
Rot. Bonds3

About 4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one

4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one (PubChem CID 82444027) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one
PubChem CID82444027
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(F)cc2)cc(C(N)c2ccccc2)c1=O
InChIInChI=1S/C18H16FN3O/c1-22-18(23)15(17(20)13-5-3-2-4-6-13)11-16(21-22)12-7-9-14(19)10-8-12/h2-11,17H,20H2,1H3
InChIKeyBDAMIVZPAPXGJH-UHFFFAOYSA-N
XLogP2.63
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one?
The IUPAC name of 4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one (CID 82444027) is 4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one is Cn1nc(-c2ccc(F)cc2)cc(C(N)c2ccccc2)c1=O.
What is the InChIKey of 4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one?
The InChIKey is BDAMIVZPAPXGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-22-18(23)15(17(20)13-5-3-2-4-6-13)11-16(21-22)12-7-9-14(19)10-8-12/h2-11,17H,20H2,1H3.
What are the key properties of 4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one?
4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one has a molecular weight of 309.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 82444027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).