3-(1H-indol-5-yl)-1H-pyridazin-6-one

C12H9N3O — CID 170567503

IUPAC3-(1H-indol-5-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc3[nH]ccc3c2)n[nH]1
InChIInChI=1S/C12H9N3O/c16-12-4-3-11(14-15-12)8-1-2-10-9(7-8)5-6-13-10/h1-7,13H,(H,15,16)
InChIKeyIYZSKZOWLOCIQH-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.92
Rot. Bonds1

About 3-(1H-indol-5-yl)-1H-pyridazin-6-one

3-(1H-indol-5-yl)-1H-pyridazin-6-one (PubChem CID 170567503) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-1H-pyridazin-6-one
PubChem CID170567503
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-(1H-indol-5-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc3[nH]ccc3c2)n[nH]1
InChIInChI=1S/C12H9N3O/c16-12-4-3-11(14-15-12)8-1-2-10-9(7-8)5-6-13-10/h1-7,13H,(H,15,16)
InChIKeyIYZSKZOWLOCIQH-UHFFFAOYSA-N
XLogP1.92
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one
CID 21406312
5-[2-(1H-indol-5-yl)phenyl]-1H-indole
CID 102414263
6-chloro-2-(1H-indol-5-yl)quinoline
CID 67344104
5-(1-propan-2-ylpyrazol-3-yl)-1H-indole
CID 71071918
5-(1H-indol-5-yl)pyridazine-4-carboxylic acid
CID 82388436
5-(6-bromo-3-pyridinyl)-1H-indole
CID 59145382
3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid
CID 39220248
6-(1H-indol-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 155010351
4-(1H-indol-5-yl)-1H-indazol-3-amine
CID 11288115
1-[4-(1H-indol-5-yl)phenyl]ethanone
CID 82039796
5-(4-tert-butylphenyl)-1H-indole
CID 16768580
5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole
CID 56720516

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(1H-indol-5-yl)-1H-pyridazin-6-one (CID 170567503) is 3-(1H-indol-5-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(1H-indol-5-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(1H-indol-5-yl)-1H-pyridazin-6-one is O=c1ccc(-c2ccc3[nH]ccc3c2)n[nH]1.
What is the InChIKey of 3-(1H-indol-5-yl)-1H-pyridazin-6-one?
The InChIKey is IYZSKZOWLOCIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-4-3-11(14-15-12)8-1-2-10-9(7-8)5-6-13-10/h1-7,13H,(H,15,16).
What are the key properties of 3-(1H-indol-5-yl)-1H-pyridazin-6-one?
3-(1H-indol-5-yl)-1H-pyridazin-6-one has a molecular weight of 211.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 170567503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).