5-bromo-N,N-dimethyl-1H-indazol-7-amine

C9H10BrN3 — CID 150401097

IUPAC5-bromo-N,N-dimethyl-1H-indazol-7-amine
SMILESCN(C)c1cc(Br)cc2cn[nH]c12
InChIInChI=1S/C9H10BrN3/c1-13(2)8-4-7(10)3-6-5-11-12-9(6)8/h3-5H,1-2H3,(H,11,12)
InChIKeyHDUCAXGLNZDJGK-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.39
Rot. Bonds1

About 5-bromo-N,N-dimethyl-1H-indazol-7-amine

5-bromo-N,N-dimethyl-1H-indazol-7-amine (PubChem CID 150401097) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 5-bromo-N,N-dimethyl-1H-indazol-7-amine.

Molecular Properties

Compound Name5-bromo-N,N-dimethyl-1H-indazol-7-amine
PubChem CID150401097
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name5-bromo-N,N-dimethyl-1H-indazol-7-amine
SMILESCN(C)c1cc(Br)cc2cn[nH]c12
InChIInChI=1S/C9H10BrN3/c1-13(2)8-4-7(10)3-6-5-11-12-9(6)8/h3-5H,1-2H3,(H,11,12)
InChIKeyHDUCAXGLNZDJGK-UHFFFAOYSA-N
XLogP2.39
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethyl-1H-indazol-7-amine?
The IUPAC name of 5-bromo-N,N-dimethyl-1H-indazol-7-amine (CID 150401097) is 5-bromo-N,N-dimethyl-1H-indazol-7-amine.
What is the SMILES notation for 5-bromo-N,N-dimethyl-1H-indazol-7-amine?
The canonical SMILES for 5-bromo-N,N-dimethyl-1H-indazol-7-amine is CN(C)c1cc(Br)cc2cn[nH]c12.
What is the InChIKey of 5-bromo-N,N-dimethyl-1H-indazol-7-amine?
The InChIKey is HDUCAXGLNZDJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-13(2)8-4-7(10)3-6-5-11-12-9(6)8/h3-5H,1-2H3,(H,11,12).
What are the key properties of 5-bromo-N,N-dimethyl-1H-indazol-7-amine?
5-bromo-N,N-dimethyl-1H-indazol-7-amine has a molecular weight of 240.10 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethyl-1H-indazol-7-amine is sourced from PubChem (CID 150401097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).