ethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate

C15H13FN4O3 — CID 165401286

IUPACethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc2cnc(-c3ccc(F)c(OC)c3)cn2n1
InChIInChI=1S/C15H13FN4O3/c1-3-23-15(21)14-18-13-7-17-11(8-20(13)19-14)9-4-5-10(16)12(6-9)22-2/h4-8H,3H2,1-2H3
InChIKeyRIMLQAHZROEMCO-UHFFFAOYSA-N
MW316.29 g/mol
LogP2.12
Rot. Bonds4

About ethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate

ethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 165401286) has the molecular formula C15H13FN4O3 and a molecular weight of 316.29 g/mol. Its IUPAC name is ethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID165401286
Molecular FormulaC15H13FN4O3
Molecular Weight316.29 g/mol
Exact Mass316.10
IUPAC Nameethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc2cnc(-c3ccc(F)c(OC)c3)cn2n1
InChIInChI=1S/C15H13FN4O3/c1-3-23-15(21)14-18-13-7-17-11(8-20(13)19-14)9-4-5-10(16)12(6-9)22-2/h4-8H,3H2,1-2H3
InChIKeyRIMLQAHZROEMCO-UHFFFAOYSA-N
XLogP2.12
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate (CID 165401286) is ethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1nc2cnc(-c3ccc(F)c(OC)c3)cn2n1.
What is the InChIKey of ethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is RIMLQAHZROEMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3/c1-3-23-15(21)14-18-13-7-17-11(8-20(13)19-14)9-4-5-10(16)12(6-9)22-2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 316.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-fluoro-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 165401286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).