2,5-dimethylindazole

C9H10N2 — CID 58763639

IUPAC2,5-dimethylindazole
SMILESCc1ccc2nn(C)cc2c1
InChIInChI=1S/C9H10N2/c1-7-3-4-9-8(5-7)6-11(2)10-9/h3-6H,1-2H3
InChIKeyQBHQMNUEUPJFGS-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.88
Rot. Bonds

About 2,5-dimethylindazole

2,5-dimethylindazole (PubChem CID 58763639) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,5-dimethylindazole.

Molecular Properties

Compound Name2,5-dimethylindazole
PubChem CID58763639
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2,5-dimethylindazole
SMILESCc1ccc2nn(C)cc2c1
InChIInChI=1S/C9H10N2/c1-7-3-4-9-8(5-7)6-11(2)10-9/h3-6H,1-2H3
InChIKeyQBHQMNUEUPJFGS-UHFFFAOYSA-N
XLogP1.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylindazole?
The IUPAC name of 2,5-dimethylindazole (CID 58763639) is 2,5-dimethylindazole.
What is the SMILES notation for 2,5-dimethylindazole?
The canonical SMILES for 2,5-dimethylindazole is Cc1ccc2nn(C)cc2c1.
What is the InChIKey of 2,5-dimethylindazole?
The InChIKey is QBHQMNUEUPJFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-3-4-9-8(5-7)6-11(2)10-9/h3-6H,1-2H3.
What are the key properties of 2,5-dimethylindazole?
2,5-dimethylindazole has a molecular weight of 146.19 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylindazole is sourced from PubChem (CID 58763639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).