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

C7H11N3O3 — CID 70141641

IUPAC2-hydroxyethyl 2-(triazol-1-yl)propanoate
SMILESCC(C(=O)OCCO)n1ccnn1
InChIInChI=1S/C7H11N3O3/c1-6(7(12)13-5-4-11)10-3-2-8-9-10/h2-3,6,11H,4-5H2,1H3
InChIKeyIMSCBHGBECCTJR-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.63
Rot. Bonds4

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

2-hydroxyethyl 2-(triazol-1-yl)propanoate (PubChem CID 70141641) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-hydroxyethyl 2-(triazol-1-yl)propanoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-(triazol-1-yl)propanoate
PubChem CID70141641
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-hydroxyethyl 2-(triazol-1-yl)propanoate
SMILESCC(C(=O)OCCO)n1ccnn1
InChIInChI=1S/C7H11N3O3/c1-6(7(12)13-5-4-11)10-3-2-8-9-10/h2-3,6,11H,4-5H2,1H3
InChIKeyIMSCBHGBECCTJR-UHFFFAOYSA-N
XLogP-0.63
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.63
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)propanoate?
The IUPAC name of 2-hydroxyethyl 2-(triazol-1-yl)propanoate (CID 70141641) is 2-hydroxyethyl 2-(triazol-1-yl)propanoate.
What is the SMILES notation for 2-hydroxyethyl 2-(triazol-1-yl)propanoate?
The canonical SMILES for 2-hydroxyethyl 2-(triazol-1-yl)propanoate is CC(C(=O)OCCO)n1ccnn1.
What is the InChIKey of 2-hydroxyethyl 2-(triazol-1-yl)propanoate?
The InChIKey is IMSCBHGBECCTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-6(7(12)13-5-4-11)10-3-2-8-9-10/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 2-hydroxyethyl 2-(triazol-1-yl)propanoate?
2-hydroxyethyl 2-(triazol-1-yl)propanoate has a molecular weight of 185.18 g/mol, XLogP of -0.63, 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)propanoate is sourced from PubChem (CID 70141641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).