2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine

C14H21N5O — CID 136542360

IUPAC2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine
SMILESCc1nc2ccc(N3CC(C)(C)OC(C)(C)C3)nn2n1
InChIInChI=1S/C14H21N5O/c1-10-15-11-6-7-12(17-19(11)16-10)18-8-13(2,3)20-14(4,5)9-18/h6-7H,8-9H2,1-5H3
InChIKeyFKYFVJBQJXPAIW-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.83
Rot. Bonds1

About 2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine

2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine (PubChem CID 136542360) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine
PubChem CID136542360
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine
SMILESCc1nc2ccc(N3CC(C)(C)OC(C)(C)C3)nn2n1
InChIInChI=1S/C14H21N5O/c1-10-15-11-6-7-12(17-19(11)16-10)18-8-13(2,3)20-14(4,5)9-18/h6-7H,8-9H2,1-5H3
InChIKeyFKYFVJBQJXPAIW-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine?
The IUPAC name of 2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine (CID 136542360) is 2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine is Cc1nc2ccc(N3CC(C)(C)OC(C)(C)C3)nn2n1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine?
The InChIKey is FKYFVJBQJXPAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-15-11-6-7-12(17-19(11)16-10)18-8-13(2,3)20-14(4,5)9-18/h6-7H,8-9H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine?
2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine has a molecular weight of 275.36 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)morpholine is sourced from PubChem (CID 136542360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).