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

C4H7N3O — CID 550925

IUPAC2-(1,2,4-triazol-1-yl)ethanol
SMILESOCCn1cncn1
InChIInChI=1S/C4H7N3O/c8-2-1-7-4-5-3-6-7/h3-4,8H,1-2H2
InChIKeyCLVALLQETQTQMV-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.73
Rot. Bonds2

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

2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 550925) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)ethanol
PubChem CID550925
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name2-(1,2,4-triazol-1-yl)ethanol
SMILESOCCn1cncn1
InChIInChI=1S/C4H7N3O/c8-2-1-7-4-5-3-6-7/h3-4,8H,1-2H2
InChIKeyCLVALLQETQTQMV-UHFFFAOYSA-N
XLogP-0.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 2-(1,2,4-triazol-1-yl)ethanol (CID 550925) is 2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)ethanol is OCCn1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is CLVALLQETQTQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c8-2-1-7-4-5-3-6-7/h3-4,8H,1-2H2.
What are the key properties of 2-(1,2,4-triazol-1-yl)ethanol?
2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 113.12 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 550925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).