ethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate

C11H11N5O2 — CID 104571415

IUPACethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate
SMILESCCOC(=O)C(C#N)c1nccn2c(C)nnc12
InChIInChI=1S/C11H11N5O2/c1-3-18-11(17)8(6-12)9-10-15-14-7(2)16(10)5-4-13-9/h4-5,8H,3H2,1-2H3
InChIKeyXTOYELQGUGJVEQ-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.60
Rot. Bonds3

About ethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate

ethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate (PubChem CID 104571415) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is ethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate
PubChem CID104571415
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Nameethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate
SMILESCCOC(=O)C(C#N)c1nccn2c(C)nnc12
InChIInChI=1S/C11H11N5O2/c1-3-18-11(17)8(6-12)9-10-15-14-7(2)16(10)5-4-13-9/h4-5,8H,3H2,1-2H3
InChIKeyXTOYELQGUGJVEQ-UHFFFAOYSA-N
XLogP0.60
TPSA93.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate?
The IUPAC name of ethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate (CID 104571415) is ethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate.
What is the SMILES notation for ethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate?
The canonical SMILES for ethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate is CCOC(=O)C(C#N)c1nccn2c(C)nnc12.
What is the InChIKey of ethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate?
The InChIKey is XTOYELQGUGJVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-3-18-11(17)8(6-12)9-10-15-14-7(2)16(10)5-4-13-9/h4-5,8H,3H2,1-2H3.
What are the key properties of ethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate?
ethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate has a molecular weight of 245.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)acetate is sourced from PubChem (CID 104571415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).