3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid

C14H16F3N3O2 — CID 169123881

IUPAC3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid
SMILESCc1c(C(F)(F)F)nnc(N2CCC3(CC2)CC3)c1C(=O)O
InChIInChI=1S/C14H16F3N3O2/c1-8-9(12(21)22)11(19-18-10(8)14(15,16)17)20-6-4-13(2-3-13)5-7-20/h2-7H2,1H3,(H,21,22)
InChIKeyMRSYACTZWNKMCU-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.88
Rot. Bonds2

About 3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid

3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid (PubChem CID 169123881) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid
PubChem CID169123881
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid
SMILESCc1c(C(F)(F)F)nnc(N2CCC3(CC2)CC3)c1C(=O)O
InChIInChI=1S/C14H16F3N3O2/c1-8-9(12(21)22)11(19-18-10(8)14(15,16)17)20-6-4-13(2-3-13)5-7-20/h2-7H2,1H3,(H,21,22)
InChIKeyMRSYACTZWNKMCU-UHFFFAOYSA-N
XLogP2.88
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid 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

6-Cyclopropyl-3-(4,4-difluoroazepan-1-yl)-5-methylpyridazine-4-carboxylic acid
CID 169123759
3-(6-Azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 169123784
3-(4,4-Difluoroazepan-1-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 169123833
3-(Azepan-1-yl)-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 169123845
Methyl 3-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)pyridazine-4-carboxylate
CID 169124208
Methyl 3-(4,4-difluoroazepan-1-yl)-5,6-dimethylpyridazine-4-carboxylate
CID 169124226
5-Methyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 169124382
3-(Azepan-1-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 169124766
Methyl 3-(azepan-1-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate
CID 169124800
Methyl 3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate
CID 169124822
Ethyl 3-(4,4-difluoroazepan-1-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate
CID 169124871
Methyl 5-methyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-(trifluoromethyl)pyridazine-4-carboxylate
CID 169124980

Frequently Asked Questions

What is the IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid (CID 169123881) is 3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid is Cc1c(C(F)(F)F)nnc(N2CCC3(CC2)CC3)c1C(=O)O.
What is the InChIKey of 3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid?
The InChIKey is MRSYACTZWNKMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-8-9(12(21)22)11(19-18-10(8)14(15,16)17)20-6-4-13(2-3-13)5-7-20/h2-7H2,1H3,(H,21,22).
What are the key properties of 3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid?
3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid has a molecular weight of 315.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-azaspiro[2.5]octan-6-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 169123881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).