3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole

C16H23F3N4 — CID 167769111

IUPAC3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
SMILESFC(F)(F)C1CCCC(n2c(C3CC3)nnc2N2CCCC2)C1
InChIInChI=1S/C16H23F3N4/c17-16(18,19)12-4-3-5-13(10-12)23-14(11-6-7-11)20-21-15(23)22-8-1-2-9-22/h11-13H,1-10H2
InChIKeyPQWQNZPHPHLRPR-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.05
Rot. Bonds3

About 3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole

3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole (PubChem CID 167769111) has the molecular formula C16H23F3N4 and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
PubChem CID167769111
Molecular FormulaC16H23F3N4
Molecular Weight328.38 g/mol
Exact Mass328.19
IUPAC Name3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
SMILESFC(F)(F)C1CCCC(n2c(C3CC3)nnc2N2CCCC2)C1
InChIInChI=1S/C16H23F3N4/c17-16(18,19)12-4-3-5-13(10-12)23-14(11-6-7-11)20-21-15(23)22-8-1-2-9-22/h11-13H,1-10H2
InChIKeyPQWQNZPHPHLRPR-UHFFFAOYSA-N
XLogP4.05
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole (CID 167769111) is 3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole is FC(F)(F)C1CCCC(n2c(C3CC3)nnc2N2CCCC2)C1.
What is the InChIKey of 3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole?
The InChIKey is PQWQNZPHPHLRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4/c17-16(18,19)12-4-3-5-13(10-12)23-14(11-6-7-11)20-21-15(23)22-8-1-2-9-22/h11-13H,1-10H2.
What are the key properties of 3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole?
3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole has a molecular weight of 328.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole is sourced from PubChem (CID 167769111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).