3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine

C9H9BrN4S — CID 47105910

IUPAC3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine
SMILESCSc1nnc(-c2ccccc2Br)n1N
InChIInChI=1S/C9H9BrN4S/c1-15-9-13-12-8(14(9)11)6-4-2-3-5-7(6)10/h2-5H,11H2,1H3
InChIKeyUWHZKOXPXCWKKL-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.14
Rot. Bonds2

About 3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine

3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine (PubChem CID 47105910) has the molecular formula C9H9BrN4S and a molecular weight of 285.17 g/mol. Its IUPAC name is 3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine
PubChem CID47105910
Molecular FormulaC9H9BrN4S
Molecular Weight285.17 g/mol
Exact Mass283.97
IUPAC Name3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine
SMILESCSc1nnc(-c2ccccc2Br)n1N
InChIInChI=1S/C9H9BrN4S/c1-15-9-13-12-8(14(9)11)6-4-2-3-5-7(6)10/h2-5H,11H2,1H3
InChIKeyUWHZKOXPXCWKKL-UHFFFAOYSA-N
XLogP2.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)-5-methylsulfonyl-1H-1,2,4-triazole
CID 726126
5-(2-bromophenyl)-4H-1,2,4-triazol-3-amine
CID 2859280
6-(2-bromophenyl)-3-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665805
6-(2-bromophenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665806
6-(2-bromophenyl)-3-(3-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665856
3-(Methylsulfanyl)-5-phenyl-1H-1,2,4-triazole
CID 605612
1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-
CID 3088007
5-(4-bromophenyl)-4H-1,2,4-triazol-3-amine
CID 794036
3-(2-Methyl-allylsulfanyl)-5-p-tolyl-[1,2,4]triazol-4-ylamine
CID 934364
2-[[4-Amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 2076562
5-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61352587
5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole
CID 164609024

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine (CID 47105910) is 3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine is CSc1nnc(-c2ccccc2Br)n1N.
What is the InChIKey of 3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine?
The InChIKey is UWHZKOXPXCWKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4S/c1-15-9-13-12-8(14(9)11)6-4-2-3-5-7(6)10/h2-5H,11H2,1H3.
What are the key properties of 3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine?
3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine has a molecular weight of 285.17 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 47105910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).