1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride

C24H25ClN8O — CID 139931624

IUPAC1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1nc(COc2nn3c(-c4ccccc4)nnc3cc2-c2ccccc2)nn1C.Cl
InChIInChI=1S/C24H24N8O.ClH/c1-30(2)15-22-25-20(28-31(22)3)16-33-24-19(17-10-6-4-7-11-17)14-21-26-27-23(32(21)29-24)18-12-8-5-9-13-18;/h4-14H,15-16H2,1-3H3;1H
InChIKeyYUXKNYXKBOQCDO-UHFFFAOYSA-N
MW476.97 g/mol
LogP3.65
Rot. Bonds7

About 1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride

1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 139931624) has the molecular formula C24H25ClN8O and a molecular weight of 476.97 g/mol. Its IUPAC name is 1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID139931624
Molecular FormulaC24H25ClN8O
Molecular Weight476.97 g/mol
Exact Mass476.18
IUPAC Name1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1nc(COc2nn3c(-c4ccccc4)nnc3cc2-c2ccccc2)nn1C.Cl
InChIInChI=1S/C24H24N8O.ClH/c1-30(2)15-22-25-20(28-31(22)3)16-33-24-19(17-10-6-4-7-11-17)14-21-26-27-23(32(21)29-24)18-12-8-5-9-13-18;/h4-14H,15-16H2,1-3H3;1H
InChIKeyYUXKNYXKBOQCDO-UHFFFAOYSA-N
XLogP3.65
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride with MolForge

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Related Compounds

3,7-diphenyl-6-(pyrimidin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine
CID 22457786
N,N-dimethyl-1-[1-methyl-5-[(3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-1,2,4-triazol-3-yl]methanamine
CID 139931627
6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 21187502
2-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-5-ethyl-1,3-thiazole
CID 21187497
3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 54421662
6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 66659658
7-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 66659801
4-[[7-(cyclobutadienyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-N,N-dimethylbut-2-yn-1-amine
CID 70214486
3-phenyl-6-(pyridin-2-ylmethoxy)-7-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 22457767
7-tert-butyl-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 11631938
3-(4-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 54008973
6-[1-(1H-imidazol-2-yl)propoxy]-3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 54235080

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride (CID 139931624) is 1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride is CN(C)Cc1nc(COc2nn3c(-c4ccccc4)nnc3cc2-c2ccccc2)nn1C.Cl.
What is the InChIKey of 1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is YUXKNYXKBOQCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O.ClH/c1-30(2)15-22-25-20(28-31(22)3)16-33-24-19(17-10-6-4-7-11-17)14-21-26-27-23(32(21)29-24)18-12-8-5-9-13-18;/h4-14H,15-16H2,1-3H3;1H.
What are the key properties of 1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride?
1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 476.97 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 139931624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).