1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone

C16H11N3OS — CID 118713549

IUPAC1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone
SMILESCC(=O)n1c2ccccc2c2cc(-c3cccs3)nnc21
InChIInChI=1S/C16H11N3OS/c1-10(20)19-14-6-3-2-5-11(14)12-9-13(17-18-16(12)19)15-7-4-8-21-15/h2-9H,1H3
InChIKeyORLBEDHESUVSSA-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.97
Rot. Bonds1

About 1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone

1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone (PubChem CID 118713549) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone.

Molecular Properties

Compound Name1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone
PubChem CID118713549
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone
SMILESCC(=O)n1c2ccccc2c2cc(-c3cccs3)nnc21
InChIInChI=1S/C16H11N3OS/c1-10(20)19-14-6-3-2-5-11(14)12-9-13(17-18-16(12)19)15-7-4-8-21-15/h2-9H,1H3
InChIKeyORLBEDHESUVSSA-UHFFFAOYSA-N
XLogP3.97
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone?
The IUPAC name of 1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone (CID 118713549) is 1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone.
What is the SMILES notation for 1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone?
The canonical SMILES for 1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone is CC(=O)n1c2ccccc2c2cc(-c3cccs3)nnc21.
What is the InChIKey of 1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone?
The InChIKey is ORLBEDHESUVSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c1-10(20)19-14-6-3-2-5-11(14)12-9-13(17-18-16(12)19)15-7-4-8-21-15/h2-9H,1H3.
What are the key properties of 1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone?
1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone has a molecular weight of 293.35 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-2-ylpyridazino[3,4-b]indol-9-yl)ethanone is sourced from PubChem (CID 118713549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).