2-(2H-triazol-4-yl)ethanol

C4H7N3O — CID 19392414

IUPAC2-(2H-triazol-4-yl)ethanol
SMILESOCCc1cn[nH]n1
InChIInChI=1S/C4H7N3O/c8-2-1-4-3-5-7-6-4/h3,8H,1-2H2,(H,5,6,7)
InChIKeyHJEVQOSZWIDFQJ-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.66
Rot. Bonds2

About 2-(2H-triazol-4-yl)ethanol

2-(2H-triazol-4-yl)ethanol (PubChem CID 19392414) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-(2H-triazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2H-triazol-4-yl)ethanol
PubChem CID19392414
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name2-(2H-triazol-4-yl)ethanol
SMILESOCCc1cn[nH]n1
InChIInChI=1S/C4H7N3O/c8-2-1-4-3-5-7-6-4/h3,8H,1-2H2,(H,5,6,7)
InChIKeyHJEVQOSZWIDFQJ-UHFFFAOYSA-N
XLogP-0.66
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-triazol-4-yl)ethanol?
The IUPAC name of 2-(2H-triazol-4-yl)ethanol (CID 19392414) is 2-(2H-triazol-4-yl)ethanol.
What is the SMILES notation for 2-(2H-triazol-4-yl)ethanol?
The canonical SMILES for 2-(2H-triazol-4-yl)ethanol is OCCc1cn[nH]n1.
What is the InChIKey of 2-(2H-triazol-4-yl)ethanol?
The InChIKey is HJEVQOSZWIDFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c8-2-1-4-3-5-7-6-4/h3,8H,1-2H2,(H,5,6,7).
What are the key properties of 2-(2H-triazol-4-yl)ethanol?
2-(2H-triazol-4-yl)ethanol has a molecular weight of 113.12 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-triazol-4-yl)ethanol is sourced from PubChem (CID 19392414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).