2,5-dimethyl-6-nitro-1,3-dihydroindazole

C9H11N3O2 — CID 170969058

IUPAC2,5-dimethyl-6-nitro-1,3-dihydroindazole
SMILESCc1cc2c(cc1[N+](=O)[O-])NN(C)C2
InChIInChI=1S/C9H11N3O2/c1-6-3-7-5-11(2)10-8(7)4-9(6)12(13)14/h3-4,10H,5H2,1-2H3
InChIKeyZHQBGXCXFXOKCT-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.68
Rot. Bonds1

About 2,5-dimethyl-6-nitro-1,3-dihydroindazole

2,5-dimethyl-6-nitro-1,3-dihydroindazole (PubChem CID 170969058) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2,5-dimethyl-6-nitro-1,3-dihydroindazole.

Molecular Properties

Compound Name2,5-dimethyl-6-nitro-1,3-dihydroindazole
PubChem CID170969058
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2,5-dimethyl-6-nitro-1,3-dihydroindazole
SMILESCc1cc2c(cc1[N+](=O)[O-])NN(C)C2
InChIInChI=1S/C9H11N3O2/c1-6-3-7-5-11(2)10-8(7)4-9(6)12(13)14/h3-4,10H,5H2,1-2H3
InChIKeyZHQBGXCXFXOKCT-UHFFFAOYSA-N
XLogP1.68
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-nitro-1,3-dihydroindazole?
The IUPAC name of 2,5-dimethyl-6-nitro-1,3-dihydroindazole (CID 170969058) is 2,5-dimethyl-6-nitro-1,3-dihydroindazole.
What is the SMILES notation for 2,5-dimethyl-6-nitro-1,3-dihydroindazole?
The canonical SMILES for 2,5-dimethyl-6-nitro-1,3-dihydroindazole is Cc1cc2c(cc1[N+](=O)[O-])NN(C)C2.
What is the InChIKey of 2,5-dimethyl-6-nitro-1,3-dihydroindazole?
The InChIKey is ZHQBGXCXFXOKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-3-7-5-11(2)10-8(7)4-9(6)12(13)14/h3-4,10H,5H2,1-2H3.
What are the key properties of 2,5-dimethyl-6-nitro-1,3-dihydroindazole?
2,5-dimethyl-6-nitro-1,3-dihydroindazole has a molecular weight of 193.21 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-nitro-1,3-dihydroindazole is sourced from PubChem (CID 170969058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).