2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol

C19H30N6O — CID 126923036

IUPAC2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol
SMILESCN(C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1)C1CCCCC1O
InChIInChI=1S/C19H30N6O/c1-19(2,3)18-21-20-16-9-10-17(22-25(16)18)24-11-13(12-24)23(4)14-7-5-6-8-15(14)26/h9-10,13-15,26H,5-8,11-12H2,1-4H3
InChIKeyVUHQWCYZNCZFBP-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.85
Rot. Bonds3

About 2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol

2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol (PubChem CID 126923036) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol
PubChem CID126923036
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol
SMILESCN(C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1)C1CCCCC1O
InChIInChI=1S/C19H30N6O/c1-19(2,3)18-21-20-16-9-10-17(22-25(16)18)24-11-13(12-24)23(4)14-7-5-6-8-15(14)26/h9-10,13-15,26H,5-8,11-12H2,1-4H3
InChIKeyVUHQWCYZNCZFBP-UHFFFAOYSA-N
XLogP1.85
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol 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

3-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]azepan-2-one
CID 126922967
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide
CID 134160816
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126922761
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxan-4-ylmethyl)azetidin-3-amine
CID 126922982
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
CID 126922829
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-5-ylmethyl)azetidin-3-amine
CID 126922877
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
CID 126922978
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyltriazol-4-yl)methyl]azetidin-3-amine
CID 126922835
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethyltriazole-4-carboxamide
CID 126922663
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2-cyclobutylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine
CID 126922870
5-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrrolidin-2-one
CID 126922963
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine
CID 126923016

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol (CID 126923036) is 2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol is CN(C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1)C1CCCCC1O.
What is the InChIKey of 2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol?
The InChIKey is VUHQWCYZNCZFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-19(2,3)18-21-20-16-9-10-17(22-25(16)18)24-11-13(12-24)23(4)14-7-5-6-8-15(14)26/h9-10,13-15,26H,5-8,11-12H2,1-4H3.
What are the key properties of 2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol?
2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol has a molecular weight of 358.49 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 126923036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).