methyl 2-methoxy-2-(triazol-1-yl)acetate

C6H9N3O3 — CID 70038416

IUPACmethyl 2-methoxy-2-(triazol-1-yl)acetate
SMILESCOC(=O)C(OC)n1ccnn1
InChIInChI=1S/C6H9N3O3/c1-11-5(6(10)12-2)9-4-3-7-8-9/h3-5H,1-2H3
InChIKeyYVASHOKVPSDGLC-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.40
Rot. Bonds3

About methyl 2-methoxy-2-(triazol-1-yl)acetate

methyl 2-methoxy-2-(triazol-1-yl)acetate (PubChem CID 70038416) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is methyl 2-methoxy-2-(triazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-methoxy-2-(triazol-1-yl)acetate
PubChem CID70038416
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Namemethyl 2-methoxy-2-(triazol-1-yl)acetate
SMILESCOC(=O)C(OC)n1ccnn1
InChIInChI=1S/C6H9N3O3/c1-11-5(6(10)12-2)9-4-3-7-8-9/h3-5H,1-2H3
InChIKeyYVASHOKVPSDGLC-UHFFFAOYSA-N
XLogP-0.40
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-2-(triazol-1-yl)acetate?
The IUPAC name of methyl 2-methoxy-2-(triazol-1-yl)acetate (CID 70038416) is methyl 2-methoxy-2-(triazol-1-yl)acetate.
What is the SMILES notation for methyl 2-methoxy-2-(triazol-1-yl)acetate?
The canonical SMILES for methyl 2-methoxy-2-(triazol-1-yl)acetate is COC(=O)C(OC)n1ccnn1.
What is the InChIKey of methyl 2-methoxy-2-(triazol-1-yl)acetate?
The InChIKey is YVASHOKVPSDGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-11-5(6(10)12-2)9-4-3-7-8-9/h3-5H,1-2H3.
What are the key properties of methyl 2-methoxy-2-(triazol-1-yl)acetate?
methyl 2-methoxy-2-(triazol-1-yl)acetate has a molecular weight of 171.16 g/mol, XLogP of -0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-2-(triazol-1-yl)acetate is sourced from PubChem (CID 70038416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).