3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one

C12H11N3O — CID 121205970

IUPAC3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(N2Cc3ccccc3C2)n[nH]1
InChIInChI=1S/C12H11N3O/c16-12-6-5-11(13-14-12)15-7-9-3-1-2-4-10(9)8-15/h1-6H,7-8H2,(H,14,16)
InChIKeySAOGSUJBJWQFGI-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.29
Rot. Bonds1

About 3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one

3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one (PubChem CID 121205970) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
PubChem CID121205970
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(N2Cc3ccccc3C2)n[nH]1
InChIInChI=1S/C12H11N3O/c16-12-6-5-11(13-14-12)15-7-9-3-1-2-4-10(9)8-15/h1-6H,7-8H2,(H,14,16)
InChIKeySAOGSUJBJWQFGI-UHFFFAOYSA-N
XLogP1.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one (CID 121205970) is 3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one is O=c1ccc(N2Cc3ccccc3C2)n[nH]1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
The InChIKey is SAOGSUJBJWQFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-12-6-5-11(13-14-12)15-7-9-3-1-2-4-10(9)8-15/h1-6H,7-8H2,(H,14,16).
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one has a molecular weight of 213.24 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 121205970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).