ethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate

C18H15N5O3 — CID 11268096

IUPACethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate
SMILESCCOC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1
InChIInChI=1S/C18H15N5O3/c1-2-25-18(24)12-6-3-5-11(9-12)13-10-23-17(15(19)20-13)21-16(22-23)14-7-4-8-26-14/h3-10H,2H2,1H3,(H2,19,20)
InChIKeyGUJWEDBSSHIBGM-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.81
Rot. Bonds4

About ethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate

ethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate (PubChem CID 11268096) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is ethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate.

Molecular Properties

Compound Nameethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate
PubChem CID11268096
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Nameethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate
SMILESCCOC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1
InChIInChI=1S/C18H15N5O3/c1-2-25-18(24)12-6-3-5-11(9-12)13-10-23-17(15(19)20-13)21-16(22-23)14-7-4-8-26-14/h3-10H,2H2,1H3,(H2,19,20)
InChIKeyGUJWEDBSSHIBGM-UHFFFAOYSA-N
XLogP2.81
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate?
The IUPAC name of ethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate (CID 11268096) is ethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate.
What is the SMILES notation for ethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate?
The canonical SMILES for ethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate is CCOC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1.
What is the InChIKey of ethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate?
The InChIKey is GUJWEDBSSHIBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-2-25-18(24)12-6-3-5-11(9-12)13-10-23-17(15(19)20-13)21-16(22-23)14-7-4-8-26-14/h3-10H,2H2,1H3,(H2,19,20).
What are the key properties of ethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate?
ethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate has a molecular weight of 349.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzoate is sourced from PubChem (CID 11268096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).