N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide

C20H27N7O2 — CID 126922665

IUPACN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
SMILESCc1noc(C)c1CC(=O)N(C)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1
InChIInChI=1S/C20H27N7O2/c1-12-15(13(2)29-24-12)9-18(28)25(6)14-10-26(11-14)17-8-7-16-21-22-19(20(3,4)5)27(16)23-17/h7-8,14H,9-11H2,1-6H3
InChIKeyVXSOJNAYDFHFDT-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.92
Rot. Bonds4

About N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide

N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide (PubChem CID 126922665) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
PubChem CID126922665
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC NameN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
SMILESCc1noc(C)c1CC(=O)N(C)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1
InChIInChI=1S/C20H27N7O2/c1-12-15(13(2)29-24-12)9-18(28)25(6)14-10-26(11-14)17-8-7-16-21-22-19(20(3,4)5)27(16)23-17/h7-8,14H,9-11H2,1-6H3
InChIKeyVXSOJNAYDFHFDT-UHFFFAOYSA-N
XLogP1.92
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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,1-dimethyltriazole-4-carboxamide
CID 126922663
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 126918792
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2,4-difluoro-N-methylbenzamide
CID 134161488
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
3-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489543
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
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 126921969
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
2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol
CID 126923036
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine
CID 126922943
3-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]azepan-2-one
CID 126922967

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
The IUPAC name of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide (CID 126922665) is N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide.
What is the SMILES notation for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
The canonical SMILES for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide is Cc1noc(C)c1CC(=O)N(C)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1.
What is the InChIKey of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
The InChIKey is VXSOJNAYDFHFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-12-15(13(2)29-24-12)9-18(28)25(6)14-10-26(11-14)17-8-7-16-21-22-19(20(3,4)5)27(16)23-17/h7-8,14H,9-11H2,1-6H3.
What are the key properties of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide has a molecular weight of 397.48 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide is sourced from PubChem (CID 126922665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).