5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine

C23H20N6O2S — CID 68737176

IUPAC5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccc4[nH]nc(N)c4c3)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N6O2S/c1-32(30,31)18-10-7-16(8-11-18)22-21(17-9-12-20-19(13-17)23(24)27-25-20)26-28-29(22)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H3,24,25,27)
InChIKeyHHFGLYLGJNTVQN-UHFFFAOYSA-N
MW444.52 g/mol
LogP3.52
Rot. Bonds5

About 5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine

5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine (PubChem CID 68737176) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is 5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine
PubChem CID68737176
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC Name5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccc4[nH]nc(N)c4c3)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N6O2S/c1-32(30,31)18-10-7-16(8-11-18)22-21(17-9-12-20-19(13-17)23(24)27-25-20)26-28-29(22)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H3,24,25,27)
InChIKeyHHFGLYLGJNTVQN-UHFFFAOYSA-N
XLogP3.52
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine 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 5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine?
The IUPAC name of 5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine (CID 68737176) is 5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine is CS(=O)(=O)c1ccc(-c2c(-c3ccc4[nH]nc(N)c4c3)nnn2Cc2ccccc2)cc1.
What is the InChIKey of 5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine?
The InChIKey is HHFGLYLGJNTVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S/c1-32(30,31)18-10-7-16(8-11-18)22-21(17-9-12-20-19(13-17)23(24)27-25-20)26-28-29(22)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H3,24,25,27).
What are the key properties of 5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine?
5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine has a molecular weight of 444.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-benzyl-5-(4-methylsulfonylphenyl)triazol-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 68737176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).