2-[1-(2-ethylbutyl)triazol-4-yl]ethanol

C10H19N3O — CID 82929775

IUPAC2-[1-(2-ethylbutyl)triazol-4-yl]ethanol
SMILESCCC(CC)Cn1cc(CCO)nn1
InChIInChI=1S/C10H19N3O/c1-3-9(4-2)7-13-8-10(5-6-14)11-12-13/h8-9,14H,3-7H2,1-2H3
InChIKeyLNKNQEFXFBFELX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.25
Rot. Bonds6

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

2-[1-(2-ethylbutyl)triazol-4-yl]ethanol (PubChem CID 82929775) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[1-(2-ethylbutyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-ethylbutyl)triazol-4-yl]ethanol
PubChem CID82929775
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[1-(2-ethylbutyl)triazol-4-yl]ethanol
SMILESCCC(CC)Cn1cc(CCO)nn1
InChIInChI=1S/C10H19N3O/c1-3-9(4-2)7-13-8-10(5-6-14)11-12-13/h8-9,14H,3-7H2,1-2H3
InChIKeyLNKNQEFXFBFELX-UHFFFAOYSA-N
XLogP1.25
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylbutyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(2-ethylbutyl)triazol-4-yl]ethanol (CID 82929775) is 2-[1-(2-ethylbutyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2-ethylbutyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(2-ethylbutyl)triazol-4-yl]ethanol is CCC(CC)Cn1cc(CCO)nn1.
What is the InChIKey of 2-[1-(2-ethylbutyl)triazol-4-yl]ethanol?
The InChIKey is LNKNQEFXFBFELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-9(4-2)7-13-8-10(5-6-14)11-12-13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2-[1-(2-ethylbutyl)triazol-4-yl]ethanol?
2-[1-(2-ethylbutyl)triazol-4-yl]ethanol has a molecular weight of 197.28 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylbutyl)triazol-4-yl]ethanol is sourced from PubChem (CID 82929775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).