[(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol

C10H12F3N3O — CID 97078635

IUPAC[(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-3-4-9(15-14-8)16-5-1-2-7(16)6-17/h3-4,7,17H,1-2,5-6H2/t7-/m1/s1
InChIKeyOHACENNUTZJLRL-SSDOTTSWSA-N
MW247.22 g/mol
LogP1.46
Rot. Bonds2

About [(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol (PubChem CID 97078635) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is [(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol
PubChem CID97078635
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name[(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-3-4-9(15-14-8)16-5-1-2-7(16)6-17/h3-4,7,17H,1-2,5-6H2/t7-/m1/s1
InChIKeyOHACENNUTZJLRL-SSDOTTSWSA-N
XLogP1.46
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6,6-Difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol
CID 118744563
(3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129354000
[(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol
CID 164642661
(3R,4S)-3-fluoro-1-(6-methylpyridazin-3-yl)piperidin-4-ol
CID 124116446
3,3-Difluoro-1-(6-methylpyridazin-3-yl)piperidin-4-ol
CID 124116458
4-[6-(Trifluoromethyl)pyridazin-3-yl]morpholine
CID 51064042
3-Pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine
CID 51064045
1-[6-(Trifluoromethyl)pyridazin-3-yl]piperidin-4-ol
CID 51064078
[6-[Cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
CID 55009135
[6-[Propyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
CID 55009279
[6-[Propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
CID 55009379
[6-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol
CID 55140580

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol (CID 97078635) is [(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1ccc(C(F)(F)F)nn1.
What is the InChIKey of [(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol?
The InChIKey is OHACENNUTZJLRL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-3-4-9(15-14-8)16-5-1-2-7(16)6-17/h3-4,7,17H,1-2,5-6H2/t7-/m1/s1.
What are the key properties of [(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol has a molecular weight of 247.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 97078635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).