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

C17H13N5O2 — CID 11359069

IUPAC1-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1
InChIInChI=1S/C17H13N5O2/c1-10(23)11-4-2-5-12(8-11)13-9-22-17(15(18)19-13)20-16(21-22)14-6-3-7-24-14/h2-9H,1H3,(H2,18,19)
InChIKeyCCNLTWYOJRYHNZ-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.84
Rot. Bonds3

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

1-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]ethanone (PubChem CID 11359069) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 1-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]ethanone
PubChem CID11359069
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name1-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1
InChIInChI=1S/C17H13N5O2/c1-10(23)11-4-2-5-12(8-11)13-9-22-17(15(18)19-13)20-16(21-22)14-6-3-7-24-14/h2-9H,1H3,(H2,18,19)
InChIKeyCCNLTWYOJRYHNZ-UHFFFAOYSA-N
XLogP2.84
TPSA99.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]ethanone (CID 11359069) is 1-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1.
What is the InChIKey of 1-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]ethanone?
The InChIKey is CCNLTWYOJRYHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-10(23)11-4-2-5-12(8-11)13-9-22-17(15(18)19-13)20-16(21-22)14-6-3-7-24-14/h2-9H,1H3,(H2,18,19).
What are the key properties of 1-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]ethanone?
1-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]ethanone has a molecular weight of 319.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]ethanone is sourced from PubChem (CID 11359069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).