1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine

C11H14BrN3 — CID 84729870

IUPAC1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cccc2c(Br)[nH]nc12
InChIInChI=1S/C11H14BrN3/c1-7(13-2)6-8-4-3-5-9-10(8)14-15-11(9)12/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyBOXQONKAXCLHMZ-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.48
Rot. Bonds3

About 1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine

1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine (PubChem CID 84729870) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine
PubChem CID84729870
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cccc2c(Br)[nH]nc12
InChIInChI=1S/C11H14BrN3/c1-7(13-2)6-8-4-3-5-9-10(8)14-15-11(9)12/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyBOXQONKAXCLHMZ-UHFFFAOYSA-N
XLogP2.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine (CID 84729870) is 1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine is CNC(C)Cc1cccc2c(Br)[nH]nc12.
What is the InChIKey of 1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine?
The InChIKey is BOXQONKAXCLHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-7(13-2)6-8-4-3-5-9-10(8)14-15-11(9)12/h3-5,7,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine?
1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine has a molecular weight of 268.16 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 84729870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).