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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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).