ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate

C6H10N4O2 — CID 63277510

IUPACethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate
SMILESCCOC(=O)Cn1ncnc1N
InChIInChI=1S/C6H10N4O2/c1-2-12-5(11)3-10-6(7)8-4-9-10/h4H,2-3H2,1H3,(H2,7,8,9)
InChIKeyVBEJVMPNXSEATK-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.58
Rot. Bonds3

About ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate

ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 63277510) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate
PubChem CID63277510
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Nameethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate
SMILESCCOC(=O)Cn1ncnc1N
InChIInChI=1S/C6H10N4O2/c1-2-12-5(11)3-10-6(7)8-4-9-10/h4H,2-3H2,1H3,(H2,7,8,9)
InChIKeyVBEJVMPNXSEATK-UHFFFAOYSA-N
XLogP-0.58
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate (CID 63277510) is ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate is CCOC(=O)Cn1ncnc1N.
What is the InChIKey of ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is VBEJVMPNXSEATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-2-12-5(11)3-10-6(7)8-4-9-10/h4H,2-3H2,1H3,(H2,7,8,9).
What are the key properties of ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate?
ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 170.17 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 63277510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).