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

C13H19F3N4 — CID 63709997

IUPAC3-cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
SMILESCn1nc(C2CCCC2)nc1C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H19F3N4/c1-20-11(12(13(14,15)16)6-7-17-8-12)18-10(19-20)9-4-2-3-5-9/h9,17H,2-8H2,1H3
InChIKeyQPVVLEDGZPTAFR-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.27
Rot. Bonds2

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

3-cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole (PubChem CID 63709997) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
PubChem CID63709997
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name3-cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
SMILESCn1nc(C2CCCC2)nc1C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H19F3N4/c1-20-11(12(13(14,15)16)6-7-17-8-12)18-10(19-20)9-4-2-3-5-9/h9,17H,2-8H2,1H3
InChIKeyQPVVLEDGZPTAFR-UHFFFAOYSA-N
XLogP2.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The IUPAC name of 3-cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole (CID 63709997) is 3-cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole is Cn1nc(C2CCCC2)nc1C1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The InChIKey is QPVVLEDGZPTAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-20-11(12(13(14,15)16)6-7-17-8-12)18-10(19-20)9-4-2-3-5-9/h9,17H,2-8H2,1H3.
What are the key properties of 3-cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole?
3-cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole has a molecular weight of 288.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole is sourced from PubChem (CID 63709997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).