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

C15H19BrN4S — CID 7358967

IUPAC3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1c(SCC2CCCCC2)nnc1-c1ccccc1Br
InChIInChI=1S/C15H19BrN4S/c16-13-9-5-4-8-12(13)14-18-19-15(20(14)17)21-10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10,17H2
InChIKeyYXJAARQQCLYLIR-UHFFFAOYSA-N
MW367.32 g/mol
LogP4.09
Rot. Bonds4

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

3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine (PubChem CID 7358967) has the molecular formula C15H19BrN4S and a molecular weight of 367.32 g/mol. Its IUPAC name is 3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine
PubChem CID7358967
Molecular FormulaC15H19BrN4S
Molecular Weight367.32 g/mol
Exact Mass366.05
IUPAC Name3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1c(SCC2CCCCC2)nnc1-c1ccccc1Br
InChIInChI=1S/C15H19BrN4S/c16-13-9-5-4-8-12(13)14-18-19-15(20(14)17)21-10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10,17H2
InChIKeyYXJAARQQCLYLIR-UHFFFAOYSA-N
XLogP4.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazole
CID 3167030
2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 4767527
3-(2-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-4-amine
CID 47105910
3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine
CID 7691864
2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
CID 7571498
3-(2-bromophenyl)-5-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazol-4-amine
CID 7691839
3-(2-bromophenyl)-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 7691868
3-(cyclohexylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 172905900
3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine
CID 130616955
3-(2-bromophenyl)-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 34779267
2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide
CID 7358950
3-(2-bromophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 40930826

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine (CID 7358967) is 3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine is Nn1c(SCC2CCCCC2)nnc1-c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine?
The InChIKey is YXJAARQQCLYLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4S/c16-13-9-5-4-8-12(13)14-18-19-15(20(14)17)21-10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10,17H2.
What are the key properties of 3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine?
3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine has a molecular weight of 367.32 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 7358967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).