4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide

C19H27N5O2S — CID 126911106

IUPAC4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCC(CN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)CC1
InChIInChI=1S/C19H27N5O2S/c25-27(26)11-7-14(8-12-27)13-23-9-5-16(6-10-23)19-21-20-18-4-3-17(15-1-2-15)22-24(18)19/h3-4,14-16H,1-2,5-13H2
InChIKeyYXZVAOVMBPWABF-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.01
Rot. Bonds4

About 4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide

4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide (PubChem CID 126911106) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide
PubChem CID126911106
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCC(CN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)CC1
InChIInChI=1S/C19H27N5O2S/c25-27(26)11-7-14(8-12-27)13-23-9-5-16(6-10-23)19-21-20-18-4-3-17(15-1-2-15)22-24(18)19/h3-4,14-16H,1-2,5-13H2
InChIKeyYXZVAOVMBPWABF-UHFFFAOYSA-N
XLogP2.01
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide 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-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911111
3-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 126911048
6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911035
6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910977
6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911067
3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126913121
5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126911027
6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911074
6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910994
3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912510
6-cyclopropyl-3-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911116
6-tert-butyl-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910582

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide?
The IUPAC name of 4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide (CID 126911106) is 4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide is O=S1(=O)CCC(CN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)CC1.
What is the InChIKey of 4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide?
The InChIKey is YXZVAOVMBPWABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c25-27(26)11-7-14(8-12-27)13-23-9-5-16(6-10-23)19-21-20-18-4-3-17(15-1-2-15)22-24(18)19/h3-4,14-16H,1-2,5-13H2.
What are the key properties of 4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide?
4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide has a molecular weight of 389.53 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide is sourced from PubChem (CID 126911106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).