2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C14H21N3O — CID 81116309

IUPAC2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCc1ccc(N2CCC3(O)CCCCC3C2)nn1
InChIInChI=1S/C14H21N3O/c1-11-5-6-13(16-15-11)17-9-8-14(18)7-3-2-4-12(14)10-17/h5-6,12,18H,2-4,7-10H2,1H3
InChIKeyFCUHIBOASZPWPM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.92
Rot. Bonds1

About 2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 81116309) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID81116309
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCc1ccc(N2CCC3(O)CCCCC3C2)nn1
InChIInChI=1S/C14H21N3O/c1-11-5-6-13(16-15-11)17-9-8-14(18)7-3-2-4-12(14)10-17/h5-6,12,18H,2-4,7-10H2,1H3
InChIKeyFCUHIBOASZPWPM-UHFFFAOYSA-N
XLogP1.92
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol with MolForge

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Related Compounds

(4aR,8aR)-2-(6-methylpyridazin-3-yl)-7-methylsulfonyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-4a-ol
CID 72893132
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-6-methylpyridine-4-carboximidamide
CID 114769124
2-(3-methylpyrazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 83064795
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)pyridine-4-carboxylic acid
CID 81115228
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 81107513
2-quinoxalin-2-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097650
2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097045
2-[4-[1-(methylamino)ethyl]-2-pyridinyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81096167
4-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-methylbenzenecarbothioamide
CID 81273043
2-[(2R)-1-cyclopentyl-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol
CID 95895193
2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81107620
2-[2-(aminomethyl)-6-methylphenyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 107105775

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 81116309) is 2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is Cc1ccc(N2CCC3(O)CCCCC3C2)nn1.
What is the InChIKey of 2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is FCUHIBOASZPWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-5-6-13(16-15-11)17-9-8-14(18)7-3-2-4-12(14)10-17/h5-6,12,18H,2-4,7-10H2,1H3.
What are the key properties of 2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 247.34 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 81116309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).