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

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Related Compounds

ethyl 2-[5-(chloromethyl)-1,2,4-triazol-1-yl]acetate
CID 107447307
1-(5-amino-1,2,4-triazol-1-yl)propan-1-one
CID 23272117
ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 59813966
ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride
CID 75485346
ethyl 4-oxo-5-(2-propyl-1,2,4-triazol-3-yl)pentanoate
CID 112744630
ethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 77231410
ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate
CID 167253717
ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate
CID 79471558
ethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate
CID 82202576
ethyl 3-(2-methyl-1,2,4-triazol-3-yl)-3-oxopropanoate
CID 58066099
ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate
CID 136597750
ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)-4-methylpentanoate
CID 79472424

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).