5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione

C14H11ClN4O2 — CID 63272049

IUPAC5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione
SMILESCc1c(Cl)nnc(Nc2ccc3c(c2)C(=O)NC3=O)c1C
InChIInChI=1S/C14H11ClN4O2/c1-6-7(2)12(19-18-11(6)15)16-8-3-4-9-10(5-8)14(21)17-13(9)20/h3-5H,1-2H3,(H,16,19)(H,17,20,21)
InChIKeyCRUFSAAQLHBELN-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.37
Rot. Bonds2

About 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione

5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione (PubChem CID 63272049) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione
PubChem CID63272049
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione
SMILESCc1c(Cl)nnc(Nc2ccc3c(c2)C(=O)NC3=O)c1C
InChIInChI=1S/C14H11ClN4O2/c1-6-7(2)12(19-18-11(6)15)16-8-3-4-9-10(5-8)14(21)17-13(9)20/h3-5H,1-2H3,(H,16,19)(H,17,20,21)
InChIKeyCRUFSAAQLHBELN-UHFFFAOYSA-N
XLogP2.37
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione?
The IUPAC name of 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione (CID 63272049) is 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione.
What is the SMILES notation for 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione?
The canonical SMILES for 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione is Cc1c(Cl)nnc(Nc2ccc3c(c2)C(=O)NC3=O)c1C.
What is the InChIKey of 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione?
The InChIKey is CRUFSAAQLHBELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-6-7(2)12(19-18-11(6)15)16-8-3-4-9-10(5-8)14(21)17-13(9)20/h3-5H,1-2H3,(H,16,19)(H,17,20,21).
What are the key properties of 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione?
5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione has a molecular weight of 302.72 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione is sourced from PubChem (CID 63272049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).