3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole

C15H21N3S — CID 126108779

IUPAC3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole
SMILESCCCSc1nnc(Cc2ccccc2)n1CCC
InChIInChI=1S/C15H21N3S/c1-3-10-18-14(12-13-8-6-5-7-9-13)16-17-15(18)19-11-4-2/h5-9H,3-4,10-12H2,1-2H3
InChIKeySWFLIEVSRLDCHZ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.78
Rot. Bonds7

About 3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole

3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole (PubChem CID 126108779) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole.

Molecular Properties

Compound Name3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole
PubChem CID126108779
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole
SMILESCCCSc1nnc(Cc2ccccc2)n1CCC
InChIInChI=1S/C15H21N3S/c1-3-10-18-14(12-13-8-6-5-7-9-13)16-17-15(18)19-11-4-2/h5-9H,3-4,10-12H2,1-2H3
InChIKeySWFLIEVSRLDCHZ-UHFFFAOYSA-N
XLogP3.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-5-(2-phenoxyethylsulfanyl)-4-propyl-1,2,4-triazole
CID 126100832
3-benzyl-5-[(3-fluorophenyl)methylsulfanyl]-4-propyl-1,2,4-triazole
CID 126113371
N-benzyl-2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1316230
[5-(2-phenylsulfanylethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 79222517
(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane
CID 56570814
2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 20896452
[5-(2-phenoxyethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63314105
2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 1315927
3-benzyl-4-ethyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,2,4-triazole
CID 87009317
3-benzyl-4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazole
CID 84603303
3-benzyl-4-ethyl-5-[2-(4-methylphenoxy)ethylsulfanyl]-1,2,4-triazole
CID 126115239
3-benzyl-4-ethyl-5-[2-(2-methylphenoxy)ethylsulfanyl]-1,2,4-triazole
CID 112776985

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole?
The IUPAC name of 3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole (CID 126108779) is 3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole.
What is the SMILES notation for 3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole?
The canonical SMILES for 3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole is CCCSc1nnc(Cc2ccccc2)n1CCC.
What is the InChIKey of 3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole?
The InChIKey is SWFLIEVSRLDCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-10-18-14(12-13-8-6-5-7-9-13)16-17-15(18)19-11-4-2/h5-9H,3-4,10-12H2,1-2H3.
What are the key properties of 3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole?
3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole has a molecular weight of 275.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole is sourced from PubChem (CID 126108779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).