6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C14H22N6O2S — CID 95319788

IUPAC6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC[C@@H]1CN(CCCS(C)(=O)=O)CCN1c1ccc2nncn2n1
InChIInChI=1S/C14H22N6O2S/c1-12-10-18(6-3-9-23(2,21)22)7-8-19(12)14-5-4-13-16-15-11-20(13)17-14/h4-5,11-12H,3,6-10H2,1-2H3/t12-/m1/s1
InChIKeyPEAKDRVHCXWCCO-GFCCVEGCSA-N
MW338.44 g/mol
LogP0.07
Rot. Bonds5

About 6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 95319788) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID95319788
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC Name6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC[C@@H]1CN(CCCS(C)(=O)=O)CCN1c1ccc2nncn2n1
InChIInChI=1S/C14H22N6O2S/c1-12-10-18(6-3-9-23(2,21)22)7-8-19(12)14-5-4-13-16-15-11-20(13)17-14/h4-5,11-12H,3,6-10H2,1-2H3/t12-/m1/s1
InChIKeyPEAKDRVHCXWCCO-GFCCVEGCSA-N
XLogP0.07
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 95319788) is 6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is C[C@@H]1CN(CCCS(C)(=O)=O)CCN1c1ccc2nncn2n1.
What is the InChIKey of 6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is PEAKDRVHCXWCCO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-12-10-18(6-3-9-23(2,21)22)7-8-19(12)14-5-4-13-16-15-11-20(13)17-14/h4-5,11-12H,3,6-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 338.44 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 95319788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).