6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H9N5O2S — CID 25154895

IUPAC6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)cnc2ncnn12
InChIInChI=1S/C11H9N5O2S/c12-10-9(6-13-11-14-7-15-16(10)11)19(17,18)8-4-2-1-3-5-8/h1-7H,12H2
InChIKeyUTTZKWMLDDJUON-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.54
Rot. Bonds2

About 6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 25154895) has the molecular formula C11H9N5O2S and a molecular weight of 275.29 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID25154895
Molecular FormulaC11H9N5O2S
Molecular Weight275.29 g/mol
Exact Mass275.05
IUPAC Name6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)cnc2ncnn12
InChIInChI=1S/C11H9N5O2S/c12-10-9(6-13-11-14-7-15-16(10)11)19(17,18)8-4-2-1-3-5-8/h1-7H,12H2
InChIKeyUTTZKWMLDDJUON-UHFFFAOYSA-N
XLogP0.54
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine
CID 45142623
1,2-bis(benzenesulfonyl)benzene
CID 19980733
5-(benzenesulfonyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 1488188
2-(benzenesulfonyl)-6-chloroaniline
CID 22766719
N-(2-tert-butyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 167898512
7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58662406
N-[4-(benzenesulfonyl)cyclohexa-1,3-dien-1-yl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 142972940
benzenesulfonylbenzene;formonitrile
CID 174749173
6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
CID 11837524
5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 91887069
7-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46098728
1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 25154895) is 6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Nc1c(S(=O)(=O)c2ccccc2)cnc2ncnn12.
What is the InChIKey of 6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UTTZKWMLDDJUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S/c12-10-9(6-13-11-14-7-15-16(10)11)19(17,18)8-4-2-1-3-5-8/h1-7H,12H2.
What are the key properties of 6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 275.29 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 25154895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).