8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane

C14H19N5O — CID 138996341

IUPAC8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane
SMILESCCc1nnc2ccc(N3CCOC4(CCC4)C3)nn12
InChIInChI=1S/C14H19N5O/c1-2-11-15-16-12-4-5-13(17-19(11)12)18-8-9-20-14(10-18)6-3-7-14/h4-5H,2-3,6-10H2,1H3
InChIKeyOTNCBFIAXVLXQN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.45
Rot. Bonds2

About 8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane

8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane (PubChem CID 138996341) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane
PubChem CID138996341
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane
SMILESCCc1nnc2ccc(N3CCOC4(CCC4)C3)nn12
InChIInChI=1S/C14H19N5O/c1-2-11-15-16-12-4-5-13(17-19(11)12)18-8-9-20-14(10-18)6-3-7-14/h4-5H,2-3,6-10H2,1H3
InChIKeyOTNCBFIAXVLXQN-UHFFFAOYSA-N
XLogP1.45
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of 8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane (CID 138996341) is 8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for 8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for 8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane is CCc1nnc2ccc(N3CCOC4(CCC4)C3)nn12.
What is the InChIKey of 8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane?
The InChIKey is OTNCBFIAXVLXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-11-15-16-12-4-5-13(17-19(11)12)18-8-9-20-14(10-18)6-3-7-14/h4-5H,2-3,6-10H2,1H3.
What are the key properties of 8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane?
8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane has a molecular weight of 273.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 138996341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).