ethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate

C11H13N5O3 — CID 170442328

IUPACethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate
SMILESCCOC(=O)COc1nc(-c2cnccn2)n(C)n1
InChIInChI=1S/C11H13N5O3/c1-3-18-9(17)7-19-11-14-10(16(2)15-11)8-6-12-4-5-13-8/h4-6H,3,7H2,1-2H3
InChIKeyPSHFVXIOBOCZFA-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.21
Rot. Bonds5

About ethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate

ethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate (PubChem CID 170442328) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is ethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate
PubChem CID170442328
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Nameethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate
SMILESCCOC(=O)COc1nc(-c2cnccn2)n(C)n1
InChIInChI=1S/C11H13N5O3/c1-3-18-9(17)7-19-11-14-10(16(2)15-11)8-6-12-4-5-13-8/h4-6H,3,7H2,1-2H3
InChIKeyPSHFVXIOBOCZFA-UHFFFAOYSA-N
XLogP0.21
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate (CID 170442328) is ethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate is CCOC(=O)COc1nc(-c2cnccn2)n(C)n1.
What is the InChIKey of ethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate?
The InChIKey is PSHFVXIOBOCZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-3-18-9(17)7-19-11-14-10(16(2)15-11)8-6-12-4-5-13-8/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate?
ethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate has a molecular weight of 263.26 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)oxy]acetate is sourced from PubChem (CID 170442328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).