3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole

C15H15N3OS — CID 2451643

IUPAC3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole
SMILESCCCSc1nnc(-c2ccco2)n1-c1ccccc1
InChIInChI=1S/C15H15N3OS/c1-2-11-20-15-17-16-14(13-9-6-10-19-13)18(15)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyFFJOCCMSPURAJK-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.03
Rot. Bonds5

About 3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole

3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole (PubChem CID 2451643) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole
PubChem CID2451643
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole
SMILESCCCSc1nnc(-c2ccco2)n1-c1ccccc1
InChIInChI=1S/C15H15N3OS/c1-2-11-20-15-17-16-14(13-9-6-10-19-13)18(15)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyFFJOCCMSPURAJK-UHFFFAOYSA-N
XLogP4.03
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 726831
3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole
CID 2409315
3-[(4-bromophenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole
CID 555677
2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 39600510
1-(2,6-dimethylphenoxy)-3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
CID 74710649
3-[3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one
CID 9113738
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 46751434
4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 27350511
N-benzhydryl-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1040318
2,2,2-trifluoroethyl N-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]carbamate
CID 56583617
1-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrolidin-2-one
CID 2633303
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole
CID 5092108

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole?
The IUPAC name of 3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole (CID 2451643) is 3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole.
What is the SMILES notation for 3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole?
The canonical SMILES for 3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole is CCCSc1nnc(-c2ccco2)n1-c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole?
The InChIKey is FFJOCCMSPURAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-11-20-15-17-16-14(13-9-6-10-19-13)18(15)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3.
What are the key properties of 3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole?
3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole has a molecular weight of 285.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole is sourced from PubChem (CID 2451643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).