3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine

C20H21N7 — CID 142492391

IUPAC3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine
SMILESCc1cn2nc(-c3nnc4cc(C5CCNCC5)ccc4n3)cc(C)c2n1
InChIInChI=1S/C20H21N7/c1-12-9-18(26-27-11-13(2)22-20(12)27)19-23-16-4-3-15(10-17(16)24-25-19)14-5-7-21-8-6-14/h3-4,9-11,14,21H,5-8H2,1-2H3
InChIKeyQSJZTPYOBWHDBB-UHFFFAOYSA-N
MW359.44 g/mol
LogP2.82
Rot. Bonds2

About 3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine

3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine (PubChem CID 142492391) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine.

Molecular Properties

Compound Name3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine
PubChem CID142492391
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine
SMILESCc1cn2nc(-c3nnc4cc(C5CCNCC5)ccc4n3)cc(C)c2n1
InChIInChI=1S/C20H21N7/c1-12-9-18(26-27-11-13(2)22-20(12)27)19-23-16-4-3-15(10-17(16)24-25-19)14-5-7-21-8-6-14/h3-4,9-11,14,21H,5-8H2,1-2H3
InChIKeyQSJZTPYOBWHDBB-UHFFFAOYSA-N
XLogP2.82
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine 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 3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine?
The IUPAC name of 3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine (CID 142492391) is 3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine.
What is the SMILES notation for 3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine?
The canonical SMILES for 3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine is Cc1cn2nc(-c3nnc4cc(C5CCNCC5)ccc4n3)cc(C)c2n1.
What is the InChIKey of 3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine?
The InChIKey is QSJZTPYOBWHDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-12-9-18(26-27-11-13(2)22-20(12)27)19-23-16-4-3-15(10-17(16)24-25-19)14-5-7-21-8-6-14/h3-4,9-11,14,21H,5-8H2,1-2H3.
What are the key properties of 3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine?
3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine has a molecular weight of 359.44 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine is sourced from PubChem (CID 142492391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).