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

C16H22N6O — CID 133489543

IUPAC3-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1noc(C)c1CN(C)c1ccc2nnc(C(C)(C)C)n2n1
InChIInChI=1S/C16H22N6O/c1-10-12(11(2)23-20-10)9-21(6)14-8-7-13-17-18-15(16(3,4)5)22(13)19-14/h7-8H,9H2,1-6H3
InChIKeyGBWALUVJGMDNDF-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.66
Rot. Bonds3

About 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

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 (PubChem CID 133489543) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133489543
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name3-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1noc(C)c1CN(C)c1ccc2nnc(C(C)(C)C)n2n1
InChIInChI=1S/C16H22N6O/c1-10-12(11(2)23-20-10)9-21(6)14-8-7-13-17-18-15(16(3,4)5)22(13)19-14/h7-8H,9H2,1-6H3
InChIKeyGBWALUVJGMDNDF-UHFFFAOYSA-N
XLogP2.66
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133492279
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
2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
CID 24587376
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,7,8-trimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133367961
3-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488780
N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133276822
3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 99696852
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
N-cyclopropyl-N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 34001574
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922917
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
3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488471

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C)c1CN(C)c1ccc2nnc(C(C)(C)C)n2n1.
What is the InChIKey of 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?
The InChIKey is GBWALUVJGMDNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-10-12(11(2)23-20-10)9-21(6)14-8-7-13-17-18-15(16(3,4)5)22(13)19-14/h7-8H,9H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 314.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 133489543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).