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

C20H32N6O — CID 126922638

IUPAC1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCC(C)(C)c1nnc2ccc(N3CC(CNCC4(O)CCCCC4)C3)nn12
InChIInChI=1S/C20H32N6O/c1-19(2,3)18-23-22-16-7-8-17(24-26(16)18)25-12-15(13-25)11-21-14-20(27)9-5-4-6-10-20/h7-8,15,21,27H,4-6,9-14H2,1-3H3
InChIKeyIUOXZLCERNCSHX-UHFFFAOYSA-N
MW372.52 g/mol
LogP2.14
Rot. Bonds5

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

1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 126922638) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID126922638
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCC(C)(C)c1nnc2ccc(N3CC(CNCC4(O)CCCCC4)C3)nn12
InChIInChI=1S/C20H32N6O/c1-19(2,3)18-23-22-16-7-8-17(24-26(16)18)25-12-15(13-25)11-21-14-20(27)9-5-4-6-10-20/h7-8,15,21,27H,4-6,9-14H2,1-3H3
InChIKeyIUOXZLCERNCSHX-UHFFFAOYSA-N
XLogP2.14
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol (CID 126922638) is 1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol is CC(C)(C)c1nnc2ccc(N3CC(CNCC4(O)CCCCC4)C3)nn12.
What is the InChIKey of 1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is IUOXZLCERNCSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-19(2,3)18-23-22-16-7-8-17(24-26(16)18)25-12-15(13-25)11-21-14-20(27)9-5-4-6-10-20/h7-8,15,21,27H,4-6,9-14H2,1-3H3.
What are the key properties of 1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol?
1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 372.52 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 126922638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).