2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol

C23H26N6O4S — CID 2043852

IUPAC2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nnc2c3ccccc3c(C)nn12
InChIInChI=1S/C23H26N6O4S/c1-16-18-5-3-4-6-19(18)22-24-25-23(29(22)26-16)20-15-17(7-8-21(20)33-2)34(31,32)28-11-9-27(10-12-28)13-14-30/h3-8,15,30H,9-14H2,1-2H3
InChIKeyCCIVPPJSMAQGMQ-UHFFFAOYSA-N
MW482.57 g/mol
LogP1.56
Rot. Bonds6

About 2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol

2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol (PubChem CID 2043852) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is 2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol
PubChem CID2043852
Molecular FormulaC23H26N6O4S
Molecular Weight482.57 g/mol
Exact Mass482.17
IUPAC Name2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nnc2c3ccccc3c(C)nn12
InChIInChI=1S/C23H26N6O4S/c1-16-18-5-3-4-6-19(18)22-24-25-23(29(22)26-16)20-15-17(7-8-21(20)33-2)34(31,32)28-11-9-27(10-12-28)13-14-30/h3-8,15,30H,9-14H2,1-2H3
InChIKeyCCIVPPJSMAQGMQ-UHFFFAOYSA-N
XLogP1.56
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol 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 2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol (CID 2043852) is 2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol is COc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nnc2c3ccccc3c(C)nn12.
What is the InChIKey of 2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol?
The InChIKey is CCIVPPJSMAQGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-16-18-5-3-4-6-19(18)22-24-25-23(29(22)26-16)20-15-17(7-8-21(20)33-2)34(31,32)28-11-9-27(10-12-28)13-14-30/h3-8,15,30H,9-14H2,1-2H3.
What are the key properties of 2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol?
2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol has a molecular weight of 482.57 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 2043852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).