2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol

C6H11FN4O — CID 84654848

IUPAC2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol
SMILESNC(CO)c1cnnn1CCF
InChIInChI=1S/C6H11FN4O/c7-1-2-11-6(3-9-10-11)5(8)4-12/h3,5,12H,1-2,4,8H2
InChIKeyVLZDCUMBPBHRAK-UHFFFAOYSA-N
MW174.18 g/mol
LogP-0.76
Rot. Bonds4

About 2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol

2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol (PubChem CID 84654848) has the molecular formula C6H11FN4O and a molecular weight of 174.18 g/mol. Its IUPAC name is 2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol
PubChem CID84654848
Molecular FormulaC6H11FN4O
Molecular Weight174.18 g/mol
Exact Mass174.09
IUPAC Name2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol
SMILESNC(CO)c1cnnn1CCF
InChIInChI=1S/C6H11FN4O/c7-1-2-11-6(3-9-10-11)5(8)4-12/h3,5,12H,1-2,4,8H2
InChIKeyVLZDCUMBPBHRAK-UHFFFAOYSA-N
XLogP-0.76
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol (CID 84654848) is 2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol is NC(CO)c1cnnn1CCF.
What is the InChIKey of 2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol?
The InChIKey is VLZDCUMBPBHRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4O/c7-1-2-11-6(3-9-10-11)5(8)4-12/h3,5,12H,1-2,4,8H2.
What are the key properties of 2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol?
2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol has a molecular weight of 174.18 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 84654848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).