6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

C23H24N6O — CID 22457799

IUPAC6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cccnc1COc1nn2c(-c3ccccc3)nnc2cc1N1CCCCC1
InChIInChI=1S/C23H24N6O/c1-17-9-8-12-24-19(17)16-30-23-20(28-13-6-3-7-14-28)15-21-25-26-22(29(21)27-23)18-10-4-2-5-11-18/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3
InChIKeyLKJQVAJICVZOQT-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.06
Rot. Bonds5

About 6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 22457799) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID22457799
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cccnc1COc1nn2c(-c3ccccc3)nnc2cc1N1CCCCC1
InChIInChI=1S/C23H24N6O/c1-17-9-8-12-24-19(17)16-30-23-20(28-13-6-3-7-14-28)15-21-25-26-22(29(21)27-23)18-10-4-2-5-11-18/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3
InChIKeyLKJQVAJICVZOQT-UHFFFAOYSA-N
XLogP4.06
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-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-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 22457799) is 6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2cc1N1CCCCC1.
What is the InChIKey of 6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LKJQVAJICVZOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-17-9-8-12-24-19(17)16-30-23-20(28-13-6-3-7-14-28)15-21-25-26-22(29(21)27-23)18-10-4-2-5-11-18/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3.
What are the key properties of 6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 400.49 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 22457799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).