2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol

C10H16F3N3O2 — CID 72895454

IUPAC2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol
SMILESCOCCc1nc(CCC(F)(F)F)n(CCO)n1
InChIInChI=1S/C10H16F3N3O2/c1-18-7-3-8-14-9(2-4-10(11,12)13)16(15-8)5-6-17/h17H,2-7H2,1H3
InChIKeyUSMKDXVPLBFYSB-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.95
Rot. Bonds7

About 2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol

2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 72895454) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID72895454
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol
SMILESCOCCc1nc(CCC(F)(F)F)n(CCO)n1
InChIInChI=1S/C10H16F3N3O2/c1-18-7-3-8-14-9(2-4-10(11,12)13)16(15-8)5-6-17/h17H,2-7H2,1H3
InChIKeyUSMKDXVPLBFYSB-UHFFFAOYSA-N
XLogP0.95
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol (CID 72895454) is 2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol is COCCc1nc(CCC(F)(F)F)n(CCO)n1.
What is the InChIKey of 2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is USMKDXVPLBFYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-18-7-3-8-14-9(2-4-10(11,12)13)16(15-8)5-6-17/h17H,2-7H2,1H3.
What are the key properties of 2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol?
2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 267.25 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72895454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).