2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

C7H12N4O3 — CID 61309456

IUPAC2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESCOCCOC(=O)Cn1cnc(N)n1
InChIInChI=1S/C7H12N4O3/c1-13-2-3-14-6(12)4-11-5-9-7(8)10-11/h5H,2-4H2,1H3,(H2,8,10)
InChIKeyAZWKXANCBZWCAF-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.95
Rot. Bonds5

About 2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 61309456) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
PubChem CID61309456
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESCOCCOC(=O)Cn1cnc(N)n1
InChIInChI=1S/C7H12N4O3/c1-13-2-3-14-6(12)4-11-5-9-7(8)10-11/h5H,2-4H2,1H3,(H2,8,10)
InChIKeyAZWKXANCBZWCAF-UHFFFAOYSA-N
XLogP-0.95
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of 2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (CID 61309456) is 2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for 2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for 2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is COCCOC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is AZWKXANCBZWCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-13-2-3-14-6(12)4-11-5-9-7(8)10-11/h5H,2-4H2,1H3,(H2,8,10).
What are the key properties of 2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 200.20 g/mol, XLogP of -0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 61309456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).