1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol

C6H8F3N3O — CID 126974249

IUPAC1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol
SMILESCCn1nncc1C(O)C(F)(F)F
InChIInChI=1S/C6H8F3N3O/c1-2-12-4(3-10-11-12)5(13)6(7,8)9/h3,5,13H,2H2,1H3
InChIKeyQDHQOFVNEIQHBW-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.89
Rot. Bonds2

About 1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol

1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol (PubChem CID 126974249) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol
PubChem CID126974249
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol
SMILESCCn1nncc1C(O)C(F)(F)F
InChIInChI=1S/C6H8F3N3O/c1-2-12-4(3-10-11-12)5(13)6(7,8)9/h3,5,13H,2H2,1H3
InChIKeyQDHQOFVNEIQHBW-UHFFFAOYSA-N
XLogP0.89
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol 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 1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol (CID 126974249) is 1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol is CCn1nncc1C(O)C(F)(F)F.
What is the InChIKey of 1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol?
The InChIKey is QDHQOFVNEIQHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-2-12-4(3-10-11-12)5(13)6(7,8)9/h3,5,13H,2H2,1H3.
What are the key properties of 1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol?
1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol has a molecular weight of 195.14 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazol-4-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 126974249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).