2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N4O3 — CID 66213957

IUPAC2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOC(OCC)c1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C11H17F3N4O3/c1-3-20-10(21-4-2)8-5-18(17-16-8)6-9(19)15-7-11(12,13)14/h5,10H,3-4,6-7H2,1-2H3,(H,15,19)
InChIKeyGSDLCIZMUYNWSZ-UHFFFAOYSA-N
MW310.28 g/mol
LogP1.03
Rot. Bonds8

About 2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66213957) has the molecular formula C11H17F3N4O3 and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66213957
Molecular FormulaC11H17F3N4O3
Molecular Weight310.28 g/mol
Exact Mass310.13
IUPAC Name2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOC(OCC)c1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C11H17F3N4O3/c1-3-20-10(21-4-2)8-5-18(17-16-8)6-9(19)15-7-11(12,13)14/h5,10H,3-4,6-7H2,1-2H3,(H,15,19)
InChIKeyGSDLCIZMUYNWSZ-UHFFFAOYSA-N
XLogP1.03
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 66213957) is 2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CCOC(OCC)c1cn(CC(=O)NCC(F)(F)F)nn1.
What is the InChIKey of 2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GSDLCIZMUYNWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O3/c1-3-20-10(21-4-2)8-5-18(17-16-8)6-9(19)15-7-11(12,13)14/h5,10H,3-4,6-7H2,1-2H3,(H,15,19).
What are the key properties of 2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 310.28 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethoxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66213957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).