1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol

C9H11FN6O2 — CID 89230845

IUPAC1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol
SMILESO=Nc1nccn1CC(O)c1cn(CCF)nn1
InChIInChI=1S/C9H11FN6O2/c10-1-3-16-5-7(12-14-16)8(17)6-15-4-2-11-9(15)13-18/h2,4-5,8,17H,1,3,6H2
InChIKeyLTFRCTJZXHBRFU-UHFFFAOYSA-N
MW254.22 g/mol
LogP0.58
Rot. Bonds6

About 1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol

1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol (PubChem CID 89230845) has the molecular formula C9H11FN6O2 and a molecular weight of 254.22 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol
PubChem CID89230845
Molecular FormulaC9H11FN6O2
Molecular Weight254.22 g/mol
Exact Mass254.09
IUPAC Name1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol
SMILESO=Nc1nccn1CC(O)c1cn(CCF)nn1
InChIInChI=1S/C9H11FN6O2/c10-1-3-16-5-7(12-14-16)8(17)6-15-4-2-11-9(15)13-18/h2,4-5,8,17H,1,3,6H2
InChIKeyLTFRCTJZXHBRFU-UHFFFAOYSA-N
XLogP0.58
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol?
The IUPAC name of 1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol (CID 89230845) is 1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol.
What is the SMILES notation for 1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol?
The canonical SMILES for 1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol is O=Nc1nccn1CC(O)c1cn(CCF)nn1.
What is the InChIKey of 1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol?
The InChIKey is LTFRCTJZXHBRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6O2/c10-1-3-16-5-7(12-14-16)8(17)6-15-4-2-11-9(15)13-18/h2,4-5,8,17H,1,3,6H2.
What are the key properties of 1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol?
1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol has a molecular weight of 254.22 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol is sourced from PubChem (CID 89230845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).