5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

C11H16F3N3O — CID 138387757

IUPAC5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCOCc1nc(C2CCCC2)n(CC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-18-6-9-15-10(8-4-2-3-5-8)17(16-9)7-11(12,13)14/h8H,2-7H2,1H3
InChIKeyJZHXZEUFZFNWJP-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.64
Rot. Bonds4

About 5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 138387757) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID138387757
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCOCc1nc(C2CCCC2)n(CC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-18-6-9-15-10(8-4-2-3-5-8)17(16-9)7-11(12,13)14/h8H,2-7H2,1H3
InChIKeyJZHXZEUFZFNWJP-UHFFFAOYSA-N
XLogP2.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 138387757) is 5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is COCc1nc(C2CCCC2)n(CC(F)(F)F)n1.
What is the InChIKey of 5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is JZHXZEUFZFNWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-18-6-9-15-10(8-4-2-3-5-8)17(16-9)7-11(12,13)14/h8H,2-7H2,1H3.
What are the key properties of 5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 263.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 138387757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).