4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine

C14H21N5O — CID 133489518

IUPAC4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine
SMILESCC1COCCN1c1ccc2nnc(C(C)(C)C)n2n1
InChIInChI=1S/C14H21N5O/c1-10-9-20-8-7-18(10)12-6-5-11-15-16-13(14(2,3)4)19(11)17-12/h5-6,10H,7-9H2,1-4H3
InChIKeyFYKNZARTOKFMLG-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.65
Rot. Bonds1

About 4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine

4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine (PubChem CID 133489518) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine
PubChem CID133489518
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine
SMILESCC1COCCN1c1ccc2nnc(C(C)(C)C)n2n1
InChIInChI=1S/C14H21N5O/c1-10-9-20-8-7-18(10)12-6-5-11-15-16-13(14(2,3)4)19(11)17-12/h5-6,10H,7-9H2,1-4H3
InChIKeyFYKNZARTOKFMLG-UHFFFAOYSA-N
XLogP1.65
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133492502
6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133490229
3-tert-butyl-6-(2-thiophen-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488467
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 133488872
1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 133489042
6-(3-methylmorpholin-4-yl)pyridine-2,3-diamine
CID 79826016
3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133487996
[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 133488313
2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80966887
2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]-1-phenylethanol
CID 133491942
3-tert-butyl-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488719
4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine
CID 133429124

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine?
The IUPAC name of 4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine (CID 133489518) is 4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine.
What is the SMILES notation for 4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine?
The canonical SMILES for 4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine is CC1COCCN1c1ccc2nnc(C(C)(C)C)n2n1.
What is the InChIKey of 4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine?
The InChIKey is FYKNZARTOKFMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-9-20-8-7-18(10)12-6-5-11-15-16-13(14(2,3)4)19(11)17-12/h5-6,10H,7-9H2,1-4H3.
What are the key properties of 4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine?
4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine has a molecular weight of 275.36 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine is sourced from PubChem (CID 133489518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).