2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine

C15H12F4N4OS — CID 133370869

IUPAC2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine
SMILESCC(C)Cn1c(Sc2c(F)c(F)nc(F)c2F)nnc1-c1ccco1
InChIInChI=1S/C15H12F4N4OS/c1-7(2)6-23-14(8-4-3-5-24-8)21-22-15(23)25-11-9(16)12(18)20-13(19)10(11)17/h3-5,7H,6H2,1-2H3
InChIKeyNUHRMBDBCWETTE-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.30
Rot. Bonds5

About 2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine

2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine (PubChem CID 133370869) has the molecular formula C15H12F4N4OS and a molecular weight of 372.35 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine
PubChem CID133370869
Molecular FormulaC15H12F4N4OS
Molecular Weight372.35 g/mol
Exact Mass372.07
IUPAC Name2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine
SMILESCC(C)Cn1c(Sc2c(F)c(F)nc(F)c2F)nnc1-c1ccco1
InChIInChI=1S/C15H12F4N4OS/c1-7(2)6-23-14(8-4-3-5-24-8)21-22-15(23)25-11-9(16)12(18)20-13(19)10(11)17/h3-5,7H,6H2,1-2H3
InChIKeyNUHRMBDBCWETTE-UHFFFAOYSA-N
XLogP4.30
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylpropanamide
CID 51209528
3-(furan-2-yl)-5-[2-(4-methoxyphenyl)ethylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 112776955
3-[(2-chlorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 112776960
2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 84603280
N-(furan-2-ylmethyl)-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 29384492
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 31110750
1-(4-chlorophenyl)-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16513651
2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 84603271
2-[[2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 16513714
N-[4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31625624
2-[1-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 55391972
N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16513613

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine (CID 133370869) is 2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine is CC(C)Cn1c(Sc2c(F)c(F)nc(F)c2F)nnc1-c1ccco1.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine?
The InChIKey is NUHRMBDBCWETTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N4OS/c1-7(2)6-23-14(8-4-3-5-24-8)21-22-15(23)25-11-9(16)12(18)20-13(19)10(11)17/h3-5,7H,6H2,1-2H3.
What are the key properties of 2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine?
2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine has a molecular weight of 372.35 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine is sourced from PubChem (CID 133370869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).