3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid

C15H15N3O2 — CID 62703197

IUPAC3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(N2Cc3ccccc3C2)c(C(=O)O)c1C
InChIInChI=1S/C15H15N3O2/c1-9-10(2)16-17-14(13(9)15(19)20)18-7-11-5-3-4-6-12(11)8-18/h3-6H,7-8H2,1-2H3,(H,19,20)
InChIKeyRVHYFYYPMYGUTH-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.31
Rot. Bonds2

About 3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid

3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 62703197) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID62703197
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(N2Cc3ccccc3C2)c(C(=O)O)c1C
InChIInChI=1S/C15H15N3O2/c1-9-10(2)16-17-14(13(9)15(19)20)18-7-11-5-3-4-6-12(11)8-18/h3-6H,7-8H2,1-2H3,(H,19,20)
InChIKeyRVHYFYYPMYGUTH-UHFFFAOYSA-N
XLogP2.31
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid
CID 114541183
3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid
CID 62703015
5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 28952095
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2H-triazole-4-carboxylic acid
CID 155250683
2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid
CID 62206077
5,6-dimethyl-3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide
CID 136525255
1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72873941
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone
CID 102546473
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide
CID 136547764
3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid
CID 107325364
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
CID 102545800

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid (CID 62703197) is 3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid is Cc1nnc(N2Cc3ccccc3C2)c(C(=O)O)c1C.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is RVHYFYYPMYGUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-10(2)16-17-14(13(9)15(19)20)18-7-11-5-3-4-6-12(11)8-18/h3-6H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 62703197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).