3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine

C22H23N5O3S — CID 1291824

IUPAC3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H23N5O3S/c1-15-17-8-4-5-9-18(17)22-24-23-21(27(22)25-15)16-10-11-19(30-2)20(14-16)31(28,29)26-12-6-3-7-13-26/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKeyOIZIGVJIJGIFGY-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.44
Rot. Bonds4

About 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine

3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 1291824) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID1291824
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H23N5O3S/c1-15-17-8-4-5-9-18(17)22-24-23-21(27(22)25-15)16-10-11-19(30-2)20(14-16)31(28,29)26-12-6-3-7-13-26/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKeyOIZIGVJIJGIFGY-UHFFFAOYSA-N
XLogP3.44
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine 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-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 1291824) is 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine is COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is OIZIGVJIJGIFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-15-17-8-4-5-9-18(17)22-24-23-21(27(22)25-15)16-10-11-19(30-2)20(14-16)31(28,29)26-12-6-3-7-13-26/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3.
What are the key properties of 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 437.53 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 1291824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).