6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine

C16H14N4O2S — CID 53353331

IUPAC6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCS(=O)(=O)c1cccc(-c2nnc(N)nc2-c2ccccc2)c1
InChIInChI=1S/C16H14N4O2S/c1-23(21,22)13-9-5-8-12(10-13)15-14(18-16(17)20-19-15)11-6-3-2-4-7-11/h2-10H,1H3,(H2,17,18,20)
InChIKeyFEMQVXAYCFTNLT-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.19
Rot. Bonds3

About 6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine

6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 53353331) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID53353331
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCS(=O)(=O)c1cccc(-c2nnc(N)nc2-c2ccccc2)c1
InChIInChI=1S/C16H14N4O2S/c1-23(21,22)13-9-5-8-12(10-13)15-14(18-16(17)20-19-15)11-6-3-2-4-7-11/h2-10H,1H3,(H2,17,18,20)
InChIKeyFEMQVXAYCFTNLT-UHFFFAOYSA-N
XLogP2.19
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354729
6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 159353991
6-(3-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 158796576
6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353233
6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine
CID 67365074
5-(3-methylphenyl)-3-methylsulfonyl-6-phenyl-1,2,4-triazine
CID 67431906
[3-(3-amino-5-phenyl-1,2,4-triazin-6-yl)phenyl]methanesulfinic acid
CID 174665322
4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine
CID 70671365
1,1-dimethyl-2-[2-(3-methylsulfonylphenyl)phenyl]guanidine
CID 19089225
6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
CID 135234262
6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353808
3-[3-[5,6-bis(3-sulfophenyl)-1,2,4-triazin-3-yl]-6-(3-sulfophenyl)-1,2,4-triazin-5-yl]benzenesulfonic acid
CID 122392165

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine (CID 53353331) is 6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine is CS(=O)(=O)c1cccc(-c2nnc(N)nc2-c2ccccc2)c1.
What is the InChIKey of 6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is FEMQVXAYCFTNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-23(21,22)13-9-5-8-12(10-13)15-14(18-16(17)20-19-15)11-6-3-2-4-7-11/h2-10H,1H3,(H2,17,18,20).
What are the key properties of 6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine?
6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 326.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 53353331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).