1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone

C10H15F3N4O — CID 55092057

IUPAC1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone
SMILESCCN(CC)CCn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H15F3N4O/c1-3-16(4-2)5-6-17-7-8(14-15-17)9(18)10(11,12)13/h7H,3-6H2,1-2H3
InChIKeyLOEMWJRMFIRHMW-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.36
Rot. Bonds6

About 1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone

1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone (PubChem CID 55092057) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone
PubChem CID55092057
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone
SMILESCCN(CC)CCn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H15F3N4O/c1-3-16(4-2)5-6-17-7-8(14-15-17)9(18)10(11,12)13/h7H,3-6H2,1-2H3
InChIKeyLOEMWJRMFIRHMW-UHFFFAOYSA-N
XLogP1.36
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone (CID 55092057) is 1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone is CCN(CC)CCn1cc(C(=O)C(F)(F)F)nn1.
What is the InChIKey of 1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone?
The InChIKey is LOEMWJRMFIRHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-3-16(4-2)5-6-17-7-8(14-15-17)9(18)10(11,12)13/h7H,3-6H2,1-2H3.
What are the key properties of 1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone?
1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone has a molecular weight of 264.25 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 55092057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).