5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine

C20H25N5S — CID 1069049

IUPAC5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine
SMILESCCN(CC)CCSc1nnc(Nc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C20H25N5S/c1-3-24(4-2)15-16-26-20-23-22-19(21-17-11-7-5-8-12-17)25(20)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3,(H,21,22)
InChIKeyWXWQXEHCQLZGDB-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.44
Rot. Bonds9

About 5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine

5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine (PubChem CID 1069049) has the molecular formula C20H25N5S and a molecular weight of 367.52 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine
PubChem CID1069049
Molecular FormulaC20H25N5S
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC Name5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine
SMILESCCN(CC)CCSc1nnc(Nc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C20H25N5S/c1-3-24(4-2)15-16-26-20-23-22-19(21-17-11-7-5-8-12-17)25(20)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3,(H,21,22)
InChIKeyWXWQXEHCQLZGDB-UHFFFAOYSA-N
XLogP4.44
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-methylbut-2-en-1-yl)sulfanyl]-N-phenyl-4H-1,2,4-triazol-3-amine
CID 16756267
3-(benzylsulfanyl)-N-methyl-N-phenyl-1H-1,2,4-triazol-5-amine
CID 16756265
5-[(3-methylbutyl)sulfanyl]-N-phenyl-4H-1,2,4-triazol-3-amine
CID 16756266
N-methyl-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2408253
N-(2-fluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2661072
[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
CID 746318
5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-amine
CID 9549125
3-(benzylsulfanyl)-1-methyl-N-phenyl-1H-1,2,4-triazol-5-amine
CID 16756166
5-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio}-4-phenyl-4H-1,2,4-triazol-3-amine
CID 980303
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-phenylacetamide
CID 4531633
N-cyclohexyl-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2407114
N-phenyl-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2660034

Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine (CID 1069049) is 5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine is CCN(CC)CCSc1nnc(Nc2ccccc2)n1-c1ccccc1.
What is the InChIKey of 5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine?
The InChIKey is WXWQXEHCQLZGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5S/c1-3-24(4-2)15-16-26-20-23-22-19(21-17-11-7-5-8-12-17)25(20)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3,(H,21,22).
What are the key properties of 5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine?
5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine has a molecular weight of 367.52 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethylsulfanyl]-N,4-diphenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 1069049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).