2-(tetrazol-1-yl)ethanol

C3H6N4O — CID 558094

IUPAC2-(tetrazol-1-yl)ethanol
SMILESOCCn1cnnn1
InChIInChI=1S/C3H6N4O/c8-2-1-7-3-4-5-6-7/h3,8H,1-2H2
InChIKeyHROUXFIBPSXDJB-UHFFFAOYSA-N
MW114.11 g/mol
LogP-1.33
Rot. Bonds2

About 2-(tetrazol-1-yl)ethanol

2-(tetrazol-1-yl)ethanol (PubChem CID 558094) has the molecular formula C3H6N4O and a molecular weight of 114.11 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(tetrazol-1-yl)ethanol
PubChem CID558094
Molecular FormulaC3H6N4O
Molecular Weight114.11 g/mol
Exact Mass114.05
IUPAC Name2-(tetrazol-1-yl)ethanol
SMILESOCCn1cnnn1
InChIInChI=1S/C3H6N4O/c8-2-1-7-3-4-5-6-7/h3,8H,1-2H2
InChIKeyHROUXFIBPSXDJB-UHFFFAOYSA-N
XLogP-1.33
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.11
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)ethanol?
The IUPAC name of 2-(tetrazol-1-yl)ethanol (CID 558094) is 2-(tetrazol-1-yl)ethanol.
What is the SMILES notation for 2-(tetrazol-1-yl)ethanol?
The canonical SMILES for 2-(tetrazol-1-yl)ethanol is OCCn1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)ethanol?
The InChIKey is HROUXFIBPSXDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O/c8-2-1-7-3-4-5-6-7/h3,8H,1-2H2.
What are the key properties of 2-(tetrazol-1-yl)ethanol?
2-(tetrazol-1-yl)ethanol has a molecular weight of 114.11 g/mol, XLogP of -1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)ethanol is sourced from PubChem (CID 558094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).