1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol

C24H26N6O — CID 133326416

IUPAC1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2CNc2ccc3nnc(-c4ccccc4)n3n2)CC1
InChIInChI=1S/C24H26N6O/c31-21-12-14-29(15-13-21)17-20-9-5-4-8-19(20)16-25-22-10-11-23-26-27-24(30(23)28-22)18-6-2-1-3-7-18/h1-11,21,31H,12-17H2,(H,25,28)
InChIKeyCHXLUZHEMDYZIA-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.36
Rot. Bonds6

About 1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol

1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol (PubChem CID 133326416) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
PubChem CID133326416
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2CNc2ccc3nnc(-c4ccccc4)n3n2)CC1
InChIInChI=1S/C24H26N6O/c31-21-12-14-29(15-13-21)17-20-9-5-4-8-19(20)16-25-22-10-11-23-26-27-24(30(23)28-22)18-6-2-1-3-7-18/h1-11,21,31H,12-17H2,(H,25,28)
InChIKeyCHXLUZHEMDYZIA-UHFFFAOYSA-N
XLogP3.36
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol with MolForge

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Related Compounds

N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133399621
1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133403510
1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 111778128
3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47983521
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71996278
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95160951
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95160952
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 60504551
N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133304991
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133326352
N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 166296830

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol (CID 133326416) is 1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol is OC1CCN(Cc2ccccc2CNc2ccc3nnc(-c4ccccc4)n3n2)CC1.
What is the InChIKey of 1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The InChIKey is CHXLUZHEMDYZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c31-21-12-14-29(15-13-21)17-20-9-5-4-8-19(20)16-25-22-10-11-23-26-27-24(30(23)28-22)18-6-2-1-3-7-18/h1-11,21,31H,12-17H2,(H,25,28).
What are the key properties of 1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol?
1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol has a molecular weight of 414.51 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 133326416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).