2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol

C6H9F3N4O — CID 82210146

IUPAC2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol
SMILESNCc1nnn(CCO)c1C(F)(F)F
InChIInChI=1S/C6H9F3N4O/c7-6(8,9)5-4(3-10)11-12-13(5)1-2-14/h14H,1-3,10H2
InChIKeyXXFQNWKJGCDMOS-UHFFFAOYSA-N
MW210.16 g/mol
LogP-0.25
Rot. Bonds3

About 2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol

2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol (PubChem CID 82210146) has the molecular formula C6H9F3N4O and a molecular weight of 210.16 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol
PubChem CID82210146
Molecular FormulaC6H9F3N4O
Molecular Weight210.16 g/mol
Exact Mass210.07
IUPAC Name2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol
SMILESNCc1nnn(CCO)c1C(F)(F)F
InChIInChI=1S/C6H9F3N4O/c7-6(8,9)5-4(3-10)11-12-13(5)1-2-14/h14H,1-3,10H2
InChIKeyXXFQNWKJGCDMOS-UHFFFAOYSA-N
XLogP-0.25
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol (CID 82210146) is 2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol is NCc1nnn(CCO)c1C(F)(F)F.
What is the InChIKey of 2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol?
The InChIKey is XXFQNWKJGCDMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4O/c7-6(8,9)5-4(3-10)11-12-13(5)1-2-14/h14H,1-3,10H2.
What are the key properties of 2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol?
2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol has a molecular weight of 210.16 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol is sourced from PubChem (CID 82210146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).