1-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol

C6H8F3N3O — CID 130529643

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol
SMILESCCn1ncnc1C(O)C(F)(F)F
InChIInChI=1S/C6H8F3N3O/c1-2-12-5(10-3-11-12)4(13)6(7,8)9/h3-4,13H,2H2,1H3
InChIKeyHNUGRXXBRGETHO-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.89
Rot. Bonds2

About 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol

1-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol (PubChem CID 130529643) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol
PubChem CID130529643
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol
SMILESCCn1ncnc1C(O)C(F)(F)F
InChIInChI=1S/C6H8F3N3O/c1-2-12-5(10-3-11-12)4(13)6(7,8)9/h3-4,13H,2H2,1H3
InChIKeyHNUGRXXBRGETHO-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

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Related Compounds

(1-ethyl-1H-1,2,4-triazol-5-yl)methanol
CID 11412385
1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol
CID 13624273
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
1-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 45085253
1-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 89881889
2,2,2-Trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)ethane-1,1-diol
CID 135060558
(4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazol-3-yl)methanol
CID 81665545
[1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 165997726
2-[3-(2-methoxyethyl)-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-1-yl]ethanol
CID 72895454
[2-(2-Fluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 18406845
[1-(2,2-difluoroethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 18406934
1-[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]ethanol
CID 57028757

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol (CID 130529643) is 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol is CCn1ncnc1C(O)C(F)(F)F.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol?
The InChIKey is HNUGRXXBRGETHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-2-12-5(10-3-11-12)4(13)6(7,8)9/h3-4,13H,2H2,1H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol?
1-(2-ethyl-1,2,4-triazol-3-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-(2-ethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 130529643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).