4-bromo-N,1-dimethylindazol-3-amine

C9H10BrN3 — CID 84701824

IUPAC4-bromo-N,1-dimethylindazol-3-amine
SMILESCNc1nn(C)c2cccc(Br)c12
InChIInChI=1S/C9H10BrN3/c1-11-9-8-6(10)4-3-5-7(8)13(2)12-9/h3-5H,1-2H3,(H,11,12)
InChIKeyGDMSDTSRPUCMPV-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.38
Rot. Bonds1

About 4-bromo-N,1-dimethylindazol-3-amine

4-bromo-N,1-dimethylindazol-3-amine (PubChem CID 84701824) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 4-bromo-N,1-dimethylindazol-3-amine.

Molecular Properties

Compound Name4-bromo-N,1-dimethylindazol-3-amine
PubChem CID84701824
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name4-bromo-N,1-dimethylindazol-3-amine
SMILESCNc1nn(C)c2cccc(Br)c12
InChIInChI=1S/C9H10BrN3/c1-11-9-8-6(10)4-3-5-7(8)13(2)12-9/h3-5H,1-2H3,(H,11,12)
InChIKeyGDMSDTSRPUCMPV-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,1-dimethylindazol-3-amine?
The IUPAC name of 4-bromo-N,1-dimethylindazol-3-amine (CID 84701824) is 4-bromo-N,1-dimethylindazol-3-amine.
What is the SMILES notation for 4-bromo-N,1-dimethylindazol-3-amine?
The canonical SMILES for 4-bromo-N,1-dimethylindazol-3-amine is CNc1nn(C)c2cccc(Br)c12.
What is the InChIKey of 4-bromo-N,1-dimethylindazol-3-amine?
The InChIKey is GDMSDTSRPUCMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-11-9-8-6(10)4-3-5-7(8)13(2)12-9/h3-5H,1-2H3,(H,11,12).
What are the key properties of 4-bromo-N,1-dimethylindazol-3-amine?
4-bromo-N,1-dimethylindazol-3-amine has a molecular weight of 240.10 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,1-dimethylindazol-3-amine is sourced from PubChem (CID 84701824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).