4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine

C13H17N5O — CID 53015049

IUPAC4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
SMILESc1cc2nnc(C3CCC3)n2nc1N1CCOCC1
InChIInChI=1S/C13H17N5O/c1-2-10(3-1)13-15-14-11-4-5-12(16-18(11)13)17-6-8-19-9-7-17/h4-5,10H,1-3,6-9H2
InChIKeyKVEHIPYRFVXGFY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.23
Rot. Bonds2

About 4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine

4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine (PubChem CID 53015049) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine.

Molecular Properties

Compound Name4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
PubChem CID53015049
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
SMILESc1cc2nnc(C3CCC3)n2nc1N1CCOCC1
InChIInChI=1S/C13H17N5O/c1-2-10(3-1)13-15-14-11-4-5-12(16-18(11)13)17-6-8-19-9-7-17/h4-5,10H,1-3,6-9H2
InChIKeyKVEHIPYRFVXGFY-UHFFFAOYSA-N
XLogP1.23
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Heptafluoropropyl)-6-(morpholin-4-yl)[1,2,4]triazolo[4,3-b]pyridazine
CID 607388
1,2,4-Triazolo(4,3-b)pyridazine, 3-methyl-6-(4-morpholinyl)-
CID 869626
6-(3-Methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 2807627
8-(3-Methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 3241481
N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903711
1,2,4-Triazolo(4,3-b)pyridazine, 8-methyl-6-(4-morpholinyl)-
CID 3043940
1,2,4-Triazolo(4,3-b)pyridazine, 3,8-dimethyl-6-(4-morpholinyl)-
CID 3043941
3-Methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 910090
N,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 164614401
6-Piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 683253
4-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine
CID 692461
1-{3-Cyclobutyl-[1,2,4]triazolo[4,3-B]pyridazin-6-YL}-4-(propan-2-YL)piperazine
CID 53016958

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The IUPAC name of 4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine (CID 53015049) is 4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine.
What is the SMILES notation for 4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The canonical SMILES for 4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine is c1cc2nnc(C3CCC3)n2nc1N1CCOCC1.
What is the InChIKey of 4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The InChIKey is KVEHIPYRFVXGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-10(3-1)13-15-14-11-4-5-12(16-18(11)13)17-6-8-19-9-7-17/h4-5,10H,1-3,6-9H2.
What are the key properties of 4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine has a molecular weight of 259.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine is sourced from PubChem (CID 53015049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).