4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole

C10H10F3N3S — CID 154543730

IUPAC4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole
SMILESCC(C)n1c(-c2cccs2)nnc1C(F)(F)F
InChIInChI=1S/C10H10F3N3S/c1-6(2)16-8(7-4-3-5-17-7)14-15-9(16)10(11,12)13/h3-6H,1-2H3
InChIKeyOJBWLRNGWAOWHH-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.61
Rot. Bonds2

About 4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole

4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole (PubChem CID 154543730) has the molecular formula C10H10F3N3S and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole
PubChem CID154543730
Molecular FormulaC10H10F3N3S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole
SMILESCC(C)n1c(-c2cccs2)nnc1C(F)(F)F
InChIInChI=1S/C10H10F3N3S/c1-6(2)16-8(7-4-3-5-17-7)14-15-9(16)10(11,12)13/h3-6H,1-2H3
InChIKeyOJBWLRNGWAOWHH-UHFFFAOYSA-N
XLogP3.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19725873
3-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 7702702
N-(2,4-difluorophenyl)-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19725907
5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide
CID 134541177
3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 40881127
2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19725786
4-ethyl-3-[1-(4-fluorophenyl)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole
CID 112774263
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19725892
N-(2,4-dimethylphenyl)-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19725854
N-(2-methoxyphenyl)-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19725863
dimethyl 5-[[2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 19725882
5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole
CID 125457809

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole (CID 154543730) is 4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole is CC(C)n1c(-c2cccs2)nnc1C(F)(F)F.
What is the InChIKey of 4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is OJBWLRNGWAOWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3S/c1-6(2)16-8(7-4-3-5-17-7)14-15-9(16)10(11,12)13/h3-6H,1-2H3.
What are the key properties of 4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole?
4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 261.27 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 154543730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).