8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide

C18H16N6O3 — CID 11646269

IUPAC8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide
SMILESNc1nc(C(=O)NCCc2ccc(O)cc2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C18H16N6O3/c19-15-17-22-16(14-2-1-9-27-14)23-24(17)10-13(21-15)18(26)20-8-7-11-3-5-12(25)6-4-11/h1-6,9-10,25H,7-8H2,(H2,19,21)(H,20,26)
InChIKeyXXUGGDVOWGSQRS-UHFFFAOYSA-N
MW364.37 g/mol
LogP1.64
Rot. Bonds5

About 8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide

8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 11646269) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID11646269
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide
SMILESNc1nc(C(=O)NCCc2ccc(O)cc2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C18H16N6O3/c19-15-17-22-16(14-2-1-9-27-14)23-24(17)10-13(21-15)18(26)20-8-7-11-3-5-12(25)6-4-11/h1-6,9-10,25H,7-8H2,(H2,19,21)(H,20,26)
InChIKeyXXUGGDVOWGSQRS-UHFFFAOYSA-N
XLogP1.64
TPSA131.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide (CID 11646269) is 8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide is Nc1nc(C(=O)NCCc2ccc(O)cc2)cn2nc(-c3ccco3)nc12.
What is the InChIKey of 8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is XXUGGDVOWGSQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c19-15-17-22-16(14-2-1-9-27-14)23-24(17)10-13(21-15)18(26)20-8-7-11-3-5-12(25)6-4-11/h1-6,9-10,25H,7-8H2,(H2,19,21)(H,20,26).
What are the key properties of 8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide?
8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 11646269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).