6-anilino-1-methylindazole-4,7-dione

C14H11N3O2 — CID 15013950

IUPAC6-anilino-1-methylindazole-4,7-dione
SMILESCn1ncc2c1C(=O)C(Nc1ccccc1)=CC2=O
InChIInChI=1S/C14H11N3O2/c1-17-13-10(8-15-17)12(18)7-11(14(13)19)16-9-5-3-2-4-6-9/h2-8,16H,1H3
InChIKeyDRDUUMIYSAAUGC-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.80
Rot. Bonds2

About 6-anilino-1-methylindazole-4,7-dione

6-anilino-1-methylindazole-4,7-dione (PubChem CID 15013950) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-anilino-1-methylindazole-4,7-dione.

Molecular Properties

Compound Name6-anilino-1-methylindazole-4,7-dione
PubChem CID15013950
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name6-anilino-1-methylindazole-4,7-dione
SMILESCn1ncc2c1C(=O)C(Nc1ccccc1)=CC2=O
InChIInChI=1S/C14H11N3O2/c1-17-13-10(8-15-17)12(18)7-11(14(13)19)16-9-5-3-2-4-6-9/h2-8,16H,1H3
InChIKeyDRDUUMIYSAAUGC-UHFFFAOYSA-N
XLogP1.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-1-methylindazole-4,7-dione?
The IUPAC name of 6-anilino-1-methylindazole-4,7-dione (CID 15013950) is 6-anilino-1-methylindazole-4,7-dione.
What is the SMILES notation for 6-anilino-1-methylindazole-4,7-dione?
The canonical SMILES for 6-anilino-1-methylindazole-4,7-dione is Cn1ncc2c1C(=O)C(Nc1ccccc1)=CC2=O.
What is the InChIKey of 6-anilino-1-methylindazole-4,7-dione?
The InChIKey is DRDUUMIYSAAUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-17-13-10(8-15-17)12(18)7-11(14(13)19)16-9-5-3-2-4-6-9/h2-8,16H,1H3.
What are the key properties of 6-anilino-1-methylindazole-4,7-dione?
6-anilino-1-methylindazole-4,7-dione has a molecular weight of 253.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-1-methylindazole-4,7-dione is sourced from PubChem (CID 15013950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).