6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

C25H25N7 — CID 133445310

IUPAC6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nc2ccccc2n1C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1
InChIInChI=1S/C25H25N7/c1-2-22-26-20-10-6-7-11-21(20)31(22)19-14-16-30(17-15-19)24-13-12-23-27-28-25(32(23)29-24)18-8-4-3-5-9-18/h3-13,19H,2,14-17H2,1H3
InChIKeyMUWSFDLOOGCILZ-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.54
Rot. Bonds4

About 6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133445310) has the molecular formula C25H25N7 and a molecular weight of 423.52 g/mol. Its IUPAC name is 6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133445310
Molecular FormulaC25H25N7
Molecular Weight423.52 g/mol
Exact Mass423.22
IUPAC Name6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nc2ccccc2n1C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1
InChIInChI=1S/C25H25N7/c1-2-22-26-20-10-6-7-11-21(20)31(22)19-14-16-30(17-15-19)24-13-12-23-27-28-25(32(23)29-24)18-8-4-3-5-9-18/h3-13,19H,2,14-17H2,1H3
InChIKeyMUWSFDLOOGCILZ-UHFFFAOYSA-N
XLogP4.54
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[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-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 133445310) is 6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is CCc1nc2ccccc2n1C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1.
What is the InChIKey of 6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MUWSFDLOOGCILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7/c1-2-22-26-20-10-6-7-11-21(20)31(22)19-14-16-30(17-15-19)24-13-12-23-27-28-25(32(23)29-24)18-8-4-3-5-9-18/h3-13,19H,2,14-17H2,1H3.
What are the key properties of 6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 423.52 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133445310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).