methyl 2-(triazol-1-ylmethoxy)acetate

C6H9N3O3 — CID 19365964

IUPACmethyl 2-(triazol-1-ylmethoxy)acetate
SMILESCOC(=O)COCn1ccnn1
InChIInChI=1S/C6H9N3O3/c1-11-6(10)4-12-5-9-3-2-7-8-9/h2-3H,4-5H2,1H3
InChIKeySTYLYYYBKCUCBJ-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.57
Rot. Bonds4

About methyl 2-(triazol-1-ylmethoxy)acetate

methyl 2-(triazol-1-ylmethoxy)acetate (PubChem CID 19365964) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is methyl 2-(triazol-1-ylmethoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(triazol-1-ylmethoxy)acetate
PubChem CID19365964
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Namemethyl 2-(triazol-1-ylmethoxy)acetate
SMILESCOC(=O)COCn1ccnn1
InChIInChI=1S/C6H9N3O3/c1-11-6(10)4-12-5-9-3-2-7-8-9/h2-3H,4-5H2,1H3
InChIKeySTYLYYYBKCUCBJ-UHFFFAOYSA-N
XLogP-0.57
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(triazol-1-ylmethoxy)acetate?
The IUPAC name of methyl 2-(triazol-1-ylmethoxy)acetate (CID 19365964) is methyl 2-(triazol-1-ylmethoxy)acetate.
What is the SMILES notation for methyl 2-(triazol-1-ylmethoxy)acetate?
The canonical SMILES for methyl 2-(triazol-1-ylmethoxy)acetate is COC(=O)COCn1ccnn1.
What is the InChIKey of methyl 2-(triazol-1-ylmethoxy)acetate?
The InChIKey is STYLYYYBKCUCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-11-6(10)4-12-5-9-3-2-7-8-9/h2-3H,4-5H2,1H3.
What are the key properties of methyl 2-(triazol-1-ylmethoxy)acetate?
methyl 2-(triazol-1-ylmethoxy)acetate has a molecular weight of 171.16 g/mol, XLogP of -0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(triazol-1-ylmethoxy)acetate is sourced from PubChem (CID 19365964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).