3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol

C16H23N5O2 — CID 71929931

IUPAC3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(c1ccc3nnc(C)n3n1)CC2
InChIInChI=1S/C16H23N5O2/c1-3-23-13-10-12(22)16(13)6-8-20(9-7-16)15-5-4-14-18-17-11(2)21(14)19-15/h4-5,12-13,22H,3,6-10H2,1-2H3
InChIKeyLTIDFRUXIRQAAD-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.19
Rot. Bonds3

About 3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol

3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol (PubChem CID 71929931) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol
PubChem CID71929931
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(c1ccc3nnc(C)n3n1)CC2
InChIInChI=1S/C16H23N5O2/c1-3-23-13-10-12(22)16(13)6-8-20(9-7-16)15-5-4-14-18-17-11(2)21(14)19-15/h4-5,12-13,22H,3,6-10H2,1-2H3
InChIKeyLTIDFRUXIRQAAD-UHFFFAOYSA-N
XLogP1.19
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3S)-7-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 100671858
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
(1S,3R)-3-ethoxy-7-(6-methylquinazolin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 97100878
(1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 97216261
(1S,3S)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol
CID 99610577
6-(5-azaspiro[2.5]octan-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133480874
(1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol
CID 97216279
3-ethoxy-7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-azaspiro[3.5]nonan-1-ol
CID 167859325
7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457282
(1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol
CID 97216316
ethyl 2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridine-3-carboxylate
CID 133470322
7-[(4-chlorophenyl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457307

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol (CID 71929931) is 3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol is CCOC1CC(O)C12CCN(c1ccc3nnc(C)n3n1)CC2.
What is the InChIKey of 3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is LTIDFRUXIRQAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-23-13-10-12(22)16(13)6-8-20(9-7-16)15-5-4-14-18-17-11(2)21(14)19-15/h4-5,12-13,22H,3,6-10H2,1-2H3.
What are the key properties of 3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol?
3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 317.39 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 71929931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).