8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C13H17N5O2 — CID 3241481

IUPAC8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12
InChIInChI=1S/C13H17N5O2/c1-10-14-15-11-2-3-12(16-18(10)11)17-6-4-13(5-7-17)19-8-9-20-13/h2-3H,4-9H2,1H3
InChIKeyALKNPSYKVZDAJT-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.78
Rot. Bonds1

About 8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 3241481) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID3241481
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12
InChIInChI=1S/C13H17N5O2/c1-10-14-15-11-2-3-12(16-18(10)11)17-6-4-13(5-7-17)19-8-9-20-13/h2-3H,4-9H2,1H3
InChIKeyALKNPSYKVZDAJT-UHFFFAOYSA-N
XLogP0.78
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 3241481) is 8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane is Cc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12.
What is the InChIKey of 8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is ALKNPSYKVZDAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-10-14-15-11-2-3-12(16-18(10)11)17-6-4-13(5-7-17)19-8-9-20-13/h2-3H,4-9H2,1H3.
What are the key properties of 8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 275.31 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 3241481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).