[5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol

C7H10F3N3O — CID 126712835

IUPAC[5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
SMILESCCc1nc(CO)nn1CC(F)(F)F
InChIInChI=1S/C7H10F3N3O/c1-2-6-11-5(3-14)12-13(6)4-7(8,9)10/h14H,2-4H2,1H3
InChIKeyCWLBYCWMNORTDD-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.90
Rot. Bonds3

About [5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol

[5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 126712835) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is [5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID126712835
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name[5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
SMILESCCc1nc(CO)nn1CC(F)(F)F
InChIInChI=1S/C7H10F3N3O/c1-2-6-11-5(3-14)12-13(6)4-7(8,9)10/h14H,2-4H2,1H3
InChIKeyCWLBYCWMNORTDD-UHFFFAOYSA-N
XLogP0.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol (CID 126712835) is [5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol is CCc1nc(CO)nn1CC(F)(F)F.
What is the InChIKey of [5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is CWLBYCWMNORTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-2-6-11-5(3-14)12-13(6)4-7(8,9)10/h14H,2-4H2,1H3.
What are the key properties of [5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol?
[5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 209.17 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 126712835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).