[3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol

C20H20FN3O — CID 139323710

IUPAC[3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol
SMILESCC(CNc1ccc(-c2cccc(CO)c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O/c1-14(16-5-7-18(21)8-6-16)12-22-20-10-9-19(23-24-20)17-4-2-3-15(11-17)13-25/h2-11,14,25H,12-13H2,1H3,(H,22,24)
InChIKeyMUEGWBGOVQIXOZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.99
Rot. Bonds6

About [3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol

[3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol (PubChem CID 139323710) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is [3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol
PubChem CID139323710
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name[3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol
SMILESCC(CNc1ccc(-c2cccc(CO)c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O/c1-14(16-5-7-18(21)8-6-16)12-22-20-10-9-19(23-24-20)17-4-2-3-15(11-17)13-25/h2-11,14,25H,12-13H2,1H3,(H,22,24)
InChIKeyMUEGWBGOVQIXOZ-UHFFFAOYSA-N
XLogP3.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol?
The IUPAC name of [3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol (CID 139323710) is [3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol?
The canonical SMILES for [3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol is CC(CNc1ccc(-c2cccc(CO)c2)nn1)c1ccc(F)cc1.
What is the InChIKey of [3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol?
The InChIKey is MUEGWBGOVQIXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14(16-5-7-18(21)8-6-16)12-22-20-10-9-19(23-24-20)17-4-2-3-15(11-17)13-25/h2-11,14,25H,12-13H2,1H3,(H,22,24).
What are the key properties of [3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol?
[3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol has a molecular weight of 337.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol is sourced from PubChem (CID 139323710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).