5-anilino-2,3-dimethylindazole-4,7-dione

C15H13N3O2 — CID 13000180

IUPAC5-anilino-2,3-dimethylindazole-4,7-dione
SMILESCc1c2c(nn1C)C(=O)C=C(Nc1ccccc1)C2=O
InChIInChI=1S/C15H13N3O2/c1-9-13-14(17-18(9)2)12(19)8-11(15(13)20)16-10-6-4-3-5-7-10/h3-8,16H,1-2H3
InChIKeyDCRRNAXFQCPTFC-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.10
Rot. Bonds2

About 5-anilino-2,3-dimethylindazole-4,7-dione

5-anilino-2,3-dimethylindazole-4,7-dione (PubChem CID 13000180) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-anilino-2,3-dimethylindazole-4,7-dione.

Molecular Properties

Compound Name5-anilino-2,3-dimethylindazole-4,7-dione
PubChem CID13000180
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-anilino-2,3-dimethylindazole-4,7-dione
SMILESCc1c2c(nn1C)C(=O)C=C(Nc1ccccc1)C2=O
InChIInChI=1S/C15H13N3O2/c1-9-13-14(17-18(9)2)12(19)8-11(15(13)20)16-10-6-4-3-5-7-10/h3-8,16H,1-2H3
InChIKeyDCRRNAXFQCPTFC-UHFFFAOYSA-N
XLogP2.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.10
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 5-anilino-2,3-dimethylindazole-4,7-dione?
The IUPAC name of 5-anilino-2,3-dimethylindazole-4,7-dione (CID 13000180) is 5-anilino-2,3-dimethylindazole-4,7-dione.
What is the SMILES notation for 5-anilino-2,3-dimethylindazole-4,7-dione?
The canonical SMILES for 5-anilino-2,3-dimethylindazole-4,7-dione is Cc1c2c(nn1C)C(=O)C=C(Nc1ccccc1)C2=O.
What is the InChIKey of 5-anilino-2,3-dimethylindazole-4,7-dione?
The InChIKey is DCRRNAXFQCPTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-13-14(17-18(9)2)12(19)8-11(15(13)20)16-10-6-4-3-5-7-10/h3-8,16H,1-2H3.
What are the key properties of 5-anilino-2,3-dimethylindazole-4,7-dione?
5-anilino-2,3-dimethylindazole-4,7-dione has a molecular weight of 267.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-2,3-dimethylindazole-4,7-dione is sourced from PubChem (CID 13000180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).