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

C11H15F3N4 — CID 63710531

IUPAC4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
SMILESCc1nnc(C2(C(F)(F)F)CCNC2)n1C1CC1
InChIInChI=1S/C11H15F3N4/c1-7-16-17-9(18(7)8-2-3-8)10(11(12,13)14)4-5-15-6-10/h8,15H,2-6H2,1H3
InChIKeyIWGGIRTUEBRIRC-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.71
Rot. Bonds2

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

4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole (PubChem CID 63710531) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
PubChem CID63710531
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
SMILESCc1nnc(C2(C(F)(F)F)CCNC2)n1C1CC1
InChIInChI=1S/C11H15F3N4/c1-7-16-17-9(18(7)8-2-3-8)10(11(12,13)14)4-5-15-6-10/h8,15H,2-6H2,1H3
InChIKeyIWGGIRTUEBRIRC-UHFFFAOYSA-N
XLogP1.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-4-propyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 55226890
4-Propyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 55226891
4-Cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 55226892
5-propyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
CID 55227067
3-Ethyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 55227068
3-Tert-butyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 55227069
4-Propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 63708546
1-Methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 63708719
3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 63708883
1-Ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 63708897
1,3-Dimethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 63709084
4-(2-Methylpropyl)-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 63709086

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole (CID 63710531) is 4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole is Cc1nnc(C2(C(F)(F)F)CCNC2)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The InChIKey is IWGGIRTUEBRIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-7-16-17-9(18(7)8-2-3-8)10(11(12,13)14)4-5-15-6-10/h8,15H,2-6H2,1H3.
What are the key properties of 4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole has a molecular weight of 260.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole is sourced from PubChem (CID 63710531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).