6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one

C14H13N3O2 — CID 158576176

IUPAC6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(=O)n(Cc2ccc3c(c2)NC(=O)C3)n1
InChIInChI=1S/C14H13N3O2/c1-9-2-5-14(19)17(16-9)8-10-3-4-11-7-13(18)15-12(11)6-10/h2-6H,7-8H2,1H3,(H,15,18)
InChIKeyWBIJYNPBGLULBW-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.09
Rot. Bonds2

About 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one

6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 158576176) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID158576176
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(=O)n(Cc2ccc3c(c2)NC(=O)C3)n1
InChIInChI=1S/C14H13N3O2/c1-9-2-5-14(19)17(16-9)8-10-3-4-11-7-13(18)15-12(11)6-10/h2-6H,7-8H2,1H3,(H,15,18)
InChIKeyWBIJYNPBGLULBW-UHFFFAOYSA-N
XLogP1.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one (CID 158576176) is 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one is Cc1ccc(=O)n(Cc2ccc3c(c2)NC(=O)C3)n1.
What is the InChIKey of 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is WBIJYNPBGLULBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-2-5-14(19)17(16-9)8-10-3-4-11-7-13(18)15-12(11)6-10/h2-6H,7-8H2,1H3,(H,15,18).
What are the key properties of 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one?
6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 158576176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).