2-hydroxyethyl 2-(triazol-1-yl)acetate

C6H9N3O3 — CID 134215290

IUPAC2-hydroxyethyl 2-(triazol-1-yl)acetate
SMILESO=C(Cn1ccnn1)OCCO
InChIInChI=1S/C6H9N3O3/c10-3-4-12-6(11)5-9-2-1-7-8-9/h1-2,10H,3-5H2
InChIKeyCXGGSIOKRLQTFJ-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.19
Rot. Bonds4

About 2-hydroxyethyl 2-(triazol-1-yl)acetate

2-hydroxyethyl 2-(triazol-1-yl)acetate (PubChem CID 134215290) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-hydroxyethyl 2-(triazol-1-yl)acetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-(triazol-1-yl)acetate
PubChem CID134215290
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name2-hydroxyethyl 2-(triazol-1-yl)acetate
SMILESO=C(Cn1ccnn1)OCCO
InChIInChI=1S/C6H9N3O3/c10-3-4-12-6(11)5-9-2-1-7-8-9/h1-2,10H,3-5H2
InChIKeyCXGGSIOKRLQTFJ-UHFFFAOYSA-N
XLogP-1.19
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-(triazol-1-yl)acetate?
The IUPAC name of 2-hydroxyethyl 2-(triazol-1-yl)acetate (CID 134215290) is 2-hydroxyethyl 2-(triazol-1-yl)acetate.
What is the SMILES notation for 2-hydroxyethyl 2-(triazol-1-yl)acetate?
The canonical SMILES for 2-hydroxyethyl 2-(triazol-1-yl)acetate is O=C(Cn1ccnn1)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-(triazol-1-yl)acetate?
The InChIKey is CXGGSIOKRLQTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c10-3-4-12-6(11)5-9-2-1-7-8-9/h1-2,10H,3-5H2.
What are the key properties of 2-hydroxyethyl 2-(triazol-1-yl)acetate?
2-hydroxyethyl 2-(triazol-1-yl)acetate has a molecular weight of 171.16 g/mol, XLogP of -1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-(triazol-1-yl)acetate is sourced from PubChem (CID 134215290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).