1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid

C15H14N2O3 — CID 43154903

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)nn1-c1ccc2c(c1)CCC2
InChIInChI=1S/C15H14N2O3/c1-9-7-13(18)14(15(19)20)16-17(9)12-6-5-10-3-2-4-11(10)8-12/h5-8H,2-4H2,1H3,(H,19,20)
InChIKeyDPPLQGSFVAYQMG-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.73
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid

1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid (PubChem CID 43154903) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid
PubChem CID43154903
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)nn1-c1ccc2c(c1)CCC2
InChIInChI=1S/C15H14N2O3/c1-9-7-13(18)14(15(19)20)16-17(9)12-6-5-10-3-2-4-11(10)8-12/h5-8H,2-4H2,1H3,(H,19,20)
InChIKeyDPPLQGSFVAYQMG-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 11543623
6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
CID 94962369
6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid
CID 43154901
1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid
CID 43246389
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9075242
3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one
CID 82421210
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154905
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 16579065
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 35611514
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8967321

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid (CID 43154903) is 1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)nn1-c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The InChIKey is DPPLQGSFVAYQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-7-13(18)14(15(19)20)16-17(9)12-6-5-10-3-2-4-11(10)8-12/h5-8H,2-4H2,1H3,(H,19,20).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 43154903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).