6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine

C21H30N8 — CID 126922492

IUPAC6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine
SMILESCC(C)(C)c1ccc(NCC2CN(c3ccc4nnc(C(C)(C)C)n4n3)C2)nn1
InChIInChI=1S/C21H30N8/c1-20(2,3)15-7-8-16(24-23-15)22-11-14-12-28(13-14)18-10-9-17-25-26-19(21(4,5)6)29(17)27-18/h7-10,14H,11-13H2,1-6H3,(H,22,24)
InChIKeyYGUQOIQUJQVDOT-UHFFFAOYSA-N
MW394.53 g/mol
LogP3.06
Rot. Bonds4

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

6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine (PubChem CID 126922492) has the molecular formula C21H30N8 and a molecular weight of 394.53 g/mol. Its IUPAC name is 6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine
PubChem CID126922492
Molecular FormulaC21H30N8
Molecular Weight394.53 g/mol
Exact Mass394.26
IUPAC Name6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine
SMILESCC(C)(C)c1ccc(NCC2CN(c3ccc4nnc(C(C)(C)C)n4n3)C2)nn1
InChIInChI=1S/C21H30N8/c1-20(2,3)15-7-8-16(24-23-15)22-11-14-12-28(13-14)18-10-9-17-25-26-19(21(4,5)6)29(17)27-18/h7-10,14H,11-13H2,1-6H3,(H,22,24)
InChIKeyYGUQOIQUJQVDOT-UHFFFAOYSA-N
XLogP3.06
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine with MolForge

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Related Compounds

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126917817
N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thian-4-amine
CID 126922606
N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 126922482
2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 126922534
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
1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 126922614
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
N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 126922420
1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(quinolin-4-ylmethyl)methanamine
CID 126922517
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126917801
3-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]benzonitrile
CID 126922513
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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine (CID 126922492) is 6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine is CC(C)(C)c1ccc(NCC2CN(c3ccc4nnc(C(C)(C)C)n4n3)C2)nn1.
What is the InChIKey of 6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine?
The InChIKey is YGUQOIQUJQVDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8/c1-20(2,3)15-7-8-16(24-23-15)22-11-14-12-28(13-14)18-10-9-17-25-26-19(21(4,5)6)29(17)27-18/h7-10,14H,11-13H2,1-6H3,(H,22,24).
What are the key properties of 6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine?
6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine has a molecular weight of 394.53 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 126922492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).