[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol

C13H14FN3O — CID 61413410

IUPAC[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol
SMILESCN(Cc1ccc(F)cc1)c1ccc(CO)nn1
InChIInChI=1S/C13H14FN3O/c1-17(8-10-2-4-11(14)5-3-10)13-7-6-12(9-18)15-16-13/h2-7,18H,8-9H2,1H3
InChIKeyNQPSTKWDOWWOLD-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.74
Rot. Bonds4

About [6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol

[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol (PubChem CID 61413410) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is [6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol
PubChem CID61413410
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol
SMILESCN(Cc1ccc(F)cc1)c1ccc(CO)nn1
InChIInChI=1S/C13H14FN3O/c1-17(8-10-2-4-11(14)5-3-10)13-7-6-12(9-18)15-16-13/h2-7,18H,8-9H2,1H3
InChIKeyNQPSTKWDOWWOLD-UHFFFAOYSA-N
XLogP1.74
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol?
The IUPAC name of [6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol (CID 61413410) is [6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol is CN(Cc1ccc(F)cc1)c1ccc(CO)nn1.
What is the InChIKey of [6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol?
The InChIKey is NQPSTKWDOWWOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-17(8-10-2-4-11(14)5-3-10)13-7-6-12(9-18)15-16-13/h2-7,18H,8-9H2,1H3.
What are the key properties of [6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol?
[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol has a molecular weight of 247.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol is sourced from PubChem (CID 61413410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).