2-(4-methyl-1,2,4-triazol-3-yl)ethanol

C5H9N3O — CID 75360918

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1cnnc1CCO
InChIInChI=1S/C5H9N3O/c1-8-4-6-7-5(8)2-3-9/h4,9H,2-3H2,1H3
InChIKeyNXWMWQORWYXEHP-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.65
Rot. Bonds2

About 2-(4-methyl-1,2,4-triazol-3-yl)ethanol

2-(4-methyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 75360918) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)ethanol
PubChem CID75360918
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1cnnc1CCO
InChIInChI=1S/C5H9N3O/c1-8-4-6-7-5(8)2-3-9/h4,9H,2-3H2,1H3
InChIKeyNXWMWQORWYXEHP-UHFFFAOYSA-N
XLogP-0.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)ethanol (CID 75360918) is 2-(4-methyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)ethanol is Cn1cnnc1CCO.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is NXWMWQORWYXEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8-4-6-7-5(8)2-3-9/h4,9H,2-3H2,1H3.
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)ethanol?
2-(4-methyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 127.15 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 75360918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).