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

C10H13F3N4 — CID 55226892

IUPAC4-cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
SMILESFC(F)(F)C1(c2nncn2C2CC2)CCNC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)9(3-4-14-5-9)8-16-15-6-17(8)7-1-2-7/h6-7,14H,1-5H2
InChIKeyDXCMIGNFVUUITP-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.41
Rot. Bonds2

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

4-cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole (PubChem CID 55226892) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
PubChem CID55226892
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name4-cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
SMILESFC(F)(F)C1(c2nncn2C2CC2)CCNC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)9(3-4-14-5-9)8-16-15-6-17(8)7-1-2-7/h6-7,14H,1-5H2
InChIKeyDXCMIGNFVUUITP-UHFFFAOYSA-N
XLogP1.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole (CID 55226892) is 4-cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole is FC(F)(F)C1(c2nncn2C2CC2)CCNC1.
What is the InChIKey of 4-cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The InChIKey is DXCMIGNFVUUITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)9(3-4-14-5-9)8-16-15-6-17(8)7-1-2-7/h6-7,14H,1-5H2.
What are the key properties of 4-cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
4-cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole has a molecular weight of 246.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole is sourced from PubChem (CID 55226892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).