1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one

C19H15N3O — CID 86242148

IUPAC1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one
SMILESCN1C(=O)C(c2ccc(-c3ccccc3)nn2)c2ccccc21
InChIInChI=1S/C19H15N3O/c1-22-17-10-6-5-9-14(17)18(19(22)23)16-12-11-15(20-21-16)13-7-3-2-4-8-13/h2-12,18H,1H3
InChIKeyGBLNPXIPEDOUDO-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.25
Rot. Bonds2

About 1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one

1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one (PubChem CID 86242148) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one
PubChem CID86242148
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one
SMILESCN1C(=O)C(c2ccc(-c3ccccc3)nn2)c2ccccc21
InChIInChI=1S/C19H15N3O/c1-22-17-10-6-5-9-14(17)18(19(22)23)16-12-11-15(20-21-16)13-7-3-2-4-8-13/h2-12,18H,1H3
InChIKeyGBLNPXIPEDOUDO-UHFFFAOYSA-N
XLogP3.25
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one?
The IUPAC name of 1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one (CID 86242148) is 1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one is CN1C(=O)C(c2ccc(-c3ccccc3)nn2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one?
The InChIKey is GBLNPXIPEDOUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-22-17-10-6-5-9-14(17)18(19(22)23)16-12-11-15(20-21-16)13-7-3-2-4-8-13/h2-12,18H,1H3.
What are the key properties of 1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one?
1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one has a molecular weight of 301.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one is sourced from PubChem (CID 86242148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).