3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine

C17H15BrN4S — CID 7691864

IUPAC3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine
SMILESNn1c(SC/C=C/c2ccccc2)nnc1-c1ccccc1Br
InChIInChI=1S/C17H15BrN4S/c18-15-11-5-4-10-14(15)16-20-21-17(22(16)19)23-12-6-9-13-7-2-1-3-8-13/h1-11H,12,19H2/b9-6+
InChIKeyCKUGOARPLXBMAU-RMKNXTFCSA-N
MW387.31 g/mol
LogP4.23
Rot. Bonds5

About 3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine

3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine (PubChem CID 7691864) has the molecular formula C17H15BrN4S and a molecular weight of 387.31 g/mol. Its IUPAC name is 3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine
PubChem CID7691864
Molecular FormulaC17H15BrN4S
Molecular Weight387.31 g/mol
Exact Mass386.02
IUPAC Name3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine
SMILESNn1c(SC/C=C/c2ccccc2)nnc1-c1ccccc1Br
InChIInChI=1S/C17H15BrN4S/c18-15-11-5-4-10-14(15)16-20-21-17(22(16)19)23-12-6-9-13-7-2-1-3-8-13/h1-11H,12,19H2/b9-6+
InChIKeyCKUGOARPLXBMAU-RMKNXTFCSA-N
XLogP4.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazol-4-amine
CID 7691839
3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 7358967
3-(oxan-4-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine
CID 75407878
2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
CID 7571498
3-(2-bromophenyl)-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 7691868
4-[2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile
CID 40930824
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]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 38865626
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-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine (CID 7691864) is 3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine is Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine?
The InChIKey is CKUGOARPLXBMAU-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H15BrN4S/c18-15-11-5-4-10-14(15)16-20-21-17(22(16)19)23-12-6-9-13-7-2-1-3-8-13/h1-11H,12,19H2/b9-6+.
What are the key properties of 3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine?
3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine has a molecular weight of 387.31 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 7691864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).