3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole

C19H18FN3S — CID 42799265

IUPAC3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole
SMILESCc1cccc(-n2c(SCc3ccc(F)cc3)nnc2C2CC2)c1
InChIInChI=1S/C19H18FN3S/c1-13-3-2-4-17(11-13)23-18(15-7-8-15)21-22-19(23)24-12-14-5-9-16(20)10-6-14/h2-6,9-11,15H,7-8,12H2,1H3
InChIKeyJZXFZWWMXZRGCW-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.88
Rot. Bonds5

About 3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole

3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole (PubChem CID 42799265) has the molecular formula C19H18FN3S and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole
PubChem CID42799265
Molecular FormulaC19H18FN3S
Molecular Weight339.44 g/mol
Exact Mass339.12
IUPAC Name3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole
SMILESCc1cccc(-n2c(SCc3ccc(F)cc3)nnc2C2CC2)c1
InChIInChI=1S/C19H18FN3S/c1-13-3-2-4-17(11-13)23-18(15-7-8-15)21-22-19(23)24-12-14-5-9-16(20)10-6-14/h2-6,9-11,15H,7-8,12H2,1H3
InChIKeyJZXFZWWMXZRGCW-UHFFFAOYSA-N
XLogP4.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole
CID 16577944
3-[(4-chlorophenyl)methylsulfanyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole
CID 4823521
N-[3-[3-cyclopropyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide
CID 46593899
3-cyclopropyl-5-[2-(4-fluorophenyl)sulfanylethylsulfanyl]-4-phenyl-1,2,4-triazole
CID 112784148
4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 27208163
3-benzylsulfanyl-4,5-bis(3-methylphenyl)-1,2,4-triazole
CID 42799320
3-benzylsulfanyl-5-cyclopropyl-4-(4-methoxyphenyl)-1,2,4-triazole
CID 42799246
3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole
CID 126111221
3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole
CID 16514184
4-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide
CID 46594011
3-cyclopropyl-5-[[4-(difluoromethylsulfonyl)phenyl]methylsulfanyl]-4-phenyl-1,2,4-triazole
CID 112802992
3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 39530874

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole (CID 42799265) is 3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole is Cc1cccc(-n2c(SCc3ccc(F)cc3)nnc2C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole?
The InChIKey is JZXFZWWMXZRGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3S/c1-13-3-2-4-17(11-13)23-18(15-7-8-15)21-22-19(23)24-12-14-5-9-16(20)10-6-14/h2-6,9-11,15H,7-8,12H2,1H3.
What are the key properties of 3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole?
3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole has a molecular weight of 339.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 42799265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).