3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C10H13F3N4 — CID 63708883

IUPAC3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESFC(F)(F)C1(c2nnc3n2CCC3)CCNC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)9(3-4-14-6-9)8-16-15-7-2-1-5-17(7)8/h14H,1-6H2
InChIKeyUSJMWYVDXWSQMW-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.02
Rot. Bonds1

About 3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 63708883) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID63708883
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESFC(F)(F)C1(c2nnc3n2CCC3)CCNC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)9(3-4-14-6-9)8-16-15-7-2-1-5-17(7)8/h14H,1-6H2
InChIKeyUSJMWYVDXWSQMW-UHFFFAOYSA-N
XLogP1.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 63708883) is 3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is FC(F)(F)C1(c2nnc3n2CCC3)CCNC1.
What is the InChIKey of 3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is USJMWYVDXWSQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)9(3-4-14-6-9)8-16-15-7-2-1-5-17(7)8/h14H,1-6H2.
What are the key properties of 3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 246.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)pyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 63708883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).