2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid

C7H11N3O3 — CID 154663297

IUPAC2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid
SMILESCC(Cc1cn[nH]n1)OCC(=O)O
InChIInChI=1S/C7H11N3O3/c1-5(13-4-7(11)12)2-6-3-8-10-9-6/h3,5H,2,4H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyWPHRCFSJISZRJR-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.16
Rot. Bonds5

About 2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid

2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid (PubChem CID 154663297) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid.

Molecular Properties

Compound Name2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid
PubChem CID154663297
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid
SMILESCC(Cc1cn[nH]n1)OCC(=O)O
InChIInChI=1S/C7H11N3O3/c1-5(13-4-7(11)12)2-6-3-8-10-9-6/h3,5H,2,4H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyWPHRCFSJISZRJR-UHFFFAOYSA-N
XLogP-0.16
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid?
The IUPAC name of 2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid (CID 154663297) is 2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid.
What is the SMILES notation for 2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid?
The canonical SMILES for 2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid is CC(Cc1cn[nH]n1)OCC(=O)O.
What is the InChIKey of 2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid?
The InChIKey is WPHRCFSJISZRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-5(13-4-7(11)12)2-6-3-8-10-9-6/h3,5H,2,4H2,1H3,(H,11,12)(H,8,9,10).
What are the key properties of 2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid?
2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid has a molecular weight of 185.18 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2H-triazol-4-yl)propan-2-yloxy]acetic acid is sourced from PubChem (CID 154663297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).