1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone

C15H11N5O — CID 39754047

IUPAC1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone
SMILESCC(=O)n1cc(-c2nnc3cnccn23)c2ccccc21
InChIInChI=1S/C15H11N5O/c1-10(21)20-9-12(11-4-2-3-5-13(11)20)15-18-17-14-8-16-6-7-19(14)15/h2-9H,1H3
InChIKeyAUZQHVWSPOCEKH-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.41
Rot. Bonds1

About 1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone

1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone (PubChem CID 39754047) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone
PubChem CID39754047
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone
SMILESCC(=O)n1cc(-c2nnc3cnccn23)c2ccccc21
InChIInChI=1S/C15H11N5O/c1-10(21)20-9-12(11-4-2-3-5-13(11)20)15-18-17-14-8-16-6-7-19(14)15/h2-9H,1H3
InChIKeyAUZQHVWSPOCEKH-UHFFFAOYSA-N
XLogP2.41
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone?
The IUPAC name of 1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone (CID 39754047) is 1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone?
The canonical SMILES for 1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone is CC(=O)n1cc(-c2nnc3cnccn23)c2ccccc21.
What is the InChIKey of 1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone?
The InChIKey is AUZQHVWSPOCEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c1-10(21)20-9-12(11-4-2-3-5-13(11)20)15-18-17-14-8-16-6-7-19(14)15/h2-9H,1H3.
What are the key properties of 1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone?
1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone has a molecular weight of 277.29 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone is sourced from PubChem (CID 39754047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).