1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine

C14H20F3N3O2 — CID 169255277

IUPAC1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine
SMILESCOc1cnnc(C(F)(F)F)c1.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C6H5F3N2O/c10-7-8-3-1-5-9(8)6-2-4-8;1-12-4-2-5(6(7,8)9)11-10-3-4/h10H,1-7H2;2-3H,1H3
InChIKeyUDVKNDXTVOJAPQ-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.11
Rot. Bonds2

About 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine

1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine (PubChem CID 169255277) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine
PubChem CID169255277
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine
SMILESCOc1cnnc(C(F)(F)F)c1.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C6H5F3N2O/c10-7-8-3-1-5-9(8)6-2-4-8;1-12-4-2-5(6(7,8)9)11-10-3-4/h10H,1-7H2;2-3H,1H3
InChIKeyUDVKNDXTVOJAPQ-UHFFFAOYSA-N
XLogP2.11
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide
CID 176943439
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane
CID 164534379
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride
CID 12691221
2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
CID 169255160
[1-(azepan-1-yl)cyclopentyl]methanol
CID 104549393
ethane;4-methoxy-6-(trifluoromethyl)pyrimidine;8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169255345
ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole
CID 164922014
ethane;[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethanol
CID 170771438
3-bromo-5-methoxypyridazine
CID 118497529
(3-fluoro-3-methylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 159182630
1-[6-(trifluoromethyl)pyridazin-4-yl]ethanone
CID 155216321
2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol
CID 45122045

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine?
The IUPAC name of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine (CID 169255277) is 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine.
What is the SMILES notation for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine?
The canonical SMILES for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine is COc1cnnc(C(F)(F)F)c1.OCC12CCCN1CCC2.
What is the InChIKey of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine?
The InChIKey is UDVKNDXTVOJAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C6H5F3N2O/c10-7-8-3-1-5-9(8)6-2-4-8;1-12-4-2-5(6(7,8)9)11-10-3-4/h10H,1-7H2;2-3H,1H3.
What are the key properties of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine?
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine has a molecular weight of 319.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine is sourced from PubChem (CID 169255277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).