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

C16H12N6O2 — CID 11336181

IUPAC3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzamide
SMILESNC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1
InChIInChI=1S/C16H12N6O2/c17-13-16-20-15(12-5-2-6-24-12)21-22(16)8-11(19-13)9-3-1-4-10(7-9)14(18)23/h1-8H,(H2,17,19)(H2,18,23)
InChIKeyNXYXZENOSBBJOX-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.73
Rot. Bonds3

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

3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzamide (PubChem CID 11336181) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound Name3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzamide
PubChem CID11336181
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzamide
SMILESNC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1
InChIInChI=1S/C16H12N6O2/c17-13-16-20-15(12-5-2-6-24-12)21-22(16)8-11(19-13)9-3-1-4-10(7-9)14(18)23/h1-8H,(H2,17,19)(H2,18,23)
InChIKeyNXYXZENOSBBJOX-UHFFFAOYSA-N
XLogP1.73
TPSA125.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzamide?
The IUPAC name of 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzamide (CID 11336181) is 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzamide?
The canonical SMILES for 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzamide is NC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1.
What is the InChIKey of 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzamide?
The InChIKey is NXYXZENOSBBJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c17-13-16-20-15(12-5-2-6-24-12)21-22(16)8-11(19-13)9-3-1-4-10(7-9)14(18)23/h1-8H,(H2,17,19)(H2,18,23).
What are the key properties of 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzamide?
3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzamide has a molecular weight of 320.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 11336181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).