4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole

C12H17F3N4 — CID 63709267

IUPAC4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
SMILESFC(F)(F)C1(c2nncn2C2CCCC2)CCNC1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)11(5-6-16-7-11)10-18-17-8-19(10)9-3-1-2-4-9/h8-9,16H,1-7H2
InChIKeyVVHLKILIWASQBK-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.19
Rot. Bonds2

About 4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole

4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole (PubChem CID 63709267) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
PubChem CID63709267
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
SMILESFC(F)(F)C1(c2nncn2C2CCCC2)CCNC1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)11(5-6-16-7-11)10-18-17-8-19(10)9-3-1-2-4-9/h8-9,16H,1-7H2
InChIKeyVVHLKILIWASQBK-UHFFFAOYSA-N
XLogP2.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The IUPAC name of 4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole (CID 63709267) is 4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole.
What is the SMILES notation for 4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The canonical SMILES for 4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole is FC(F)(F)C1(c2nncn2C2CCCC2)CCNC1.
What is the InChIKey of 4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The InChIKey is VVHLKILIWASQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c13-12(14,15)11(5-6-16-7-11)10-18-17-8-19(10)9-3-1-2-4-9/h8-9,16H,1-7H2.
What are the key properties of 4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole has a molecular weight of 274.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole is sourced from PubChem (CID 63709267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).