2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol

C8H15N3O — CID 59128836

IUPAC2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol
SMILESCC(C)(C)c1ncnn1CCO
InChIInChI=1S/C8H15N3O/c1-8(2,3)7-9-6-10-11(7)4-5-12/h6,12H,4-5H2,1-3H3
InChIKeyUUSRHZFJQGFTDP-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.57
Rot. Bonds2

About 2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol

2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol (PubChem CID 59128836) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol
PubChem CID59128836
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol
SMILESCC(C)(C)c1ncnn1CCO
InChIInChI=1S/C8H15N3O/c1-8(2,3)7-9-6-10-11(7)4-5-12/h6,12H,4-5H2,1-3H3
InChIKeyUUSRHZFJQGFTDP-UHFFFAOYSA-N
XLogP0.57
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Methyl-1H-1,2,4-triazol-3-yl)methanol
CID 10351670
(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-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 89881889
(1-methyl-1H-1,2,4-triazol-5-yl)methanol hydrochloride
CID 126802643
2-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 65600773
(1-methyl-1H-1,2,4-triazol-5-yl)methanol
CID 11073377
[2-(2-Fluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 18406845
2-[3-(Fluoromethyl)-1,2,4-triazol-1-yl]ethanol
CID 57296588
2-Fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol
CID 59330633
2-[3-(3-Fluoropropyl)-1,2,4-triazol-1-yl]ethanol
CID 123826455

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol (CID 59128836) is 2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol is CC(C)(C)c1ncnn1CCO.
What is the InChIKey of 2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol?
The InChIKey is UUSRHZFJQGFTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(2,3)7-9-6-10-11(7)4-5-12/h6,12H,4-5H2,1-3H3.
What are the key properties of 2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol?
2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol has a molecular weight of 169.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 59128836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).