methyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate

C13H10N4O3 — CID 65019357

IUPACmethyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate
SMILESCOC(=O)c1ccc(Oc2nccn3cnnc23)cc1
InChIInChI=1S/C13H10N4O3/c1-19-13(18)9-2-4-10(5-3-9)20-12-11-16-15-8-17(11)7-6-14-12/h2-8H,1H3
InChIKeyHEGCLNKBFNJBHY-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.70
Rot. Bonds3

About methyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate

methyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate (PubChem CID 65019357) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is methyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate.

Molecular Properties

Compound Namemethyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate
PubChem CID65019357
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Namemethyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate
SMILESCOC(=O)c1ccc(Oc2nccn3cnnc23)cc1
InChIInChI=1S/C13H10N4O3/c1-19-13(18)9-2-4-10(5-3-9)20-12-11-16-15-8-17(11)7-6-14-12/h2-8H,1H3
InChIKeyHEGCLNKBFNJBHY-UHFFFAOYSA-N
XLogP1.70
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate?
The IUPAC name of methyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate (CID 65019357) is methyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate.
What is the SMILES notation for methyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate?
The canonical SMILES for methyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate is COC(=O)c1ccc(Oc2nccn3cnnc23)cc1.
What is the InChIKey of methyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate?
The InChIKey is HEGCLNKBFNJBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c1-19-13(18)9-2-4-10(5-3-9)20-12-11-16-15-8-17(11)7-6-14-12/h2-8H,1H3.
What are the key properties of methyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate?
methyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate has a molecular weight of 270.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)benzoate is sourced from PubChem (CID 65019357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).