1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine

C12H16BrN3 — CID 84730574

IUPAC1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine
SMILESCC(N)c1ccc2c(c1)c(Br)nn2C(C)C
InChIInChI=1S/C12H16BrN3/c1-7(2)16-11-5-4-9(8(3)14)6-10(11)12(13)15-16/h4-8H,14H2,1-3H3
InChIKeyUHJMGEGZILJFFY-UHFFFAOYSA-N
MW282.19 g/mol
LogP3.40
Rot. Bonds2

About 1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine

1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine (PubChem CID 84730574) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine
PubChem CID84730574
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC Name1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine
SMILESCC(N)c1ccc2c(c1)c(Br)nn2C(C)C
InChIInChI=1S/C12H16BrN3/c1-7(2)16-11-5-4-9(8(3)14)6-10(11)12(13)15-16/h4-8H,14H2,1-3H3
InChIKeyUHJMGEGZILJFFY-UHFFFAOYSA-N
XLogP3.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine?
The IUPAC name of 1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine (CID 84730574) is 1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine is CC(N)c1ccc2c(c1)c(Br)nn2C(C)C.
What is the InChIKey of 1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine?
The InChIKey is UHJMGEGZILJFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c1-7(2)16-11-5-4-9(8(3)14)6-10(11)12(13)15-16/h4-8H,14H2,1-3H3.
What are the key properties of 1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine?
1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine has a molecular weight of 282.19 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine is sourced from PubChem (CID 84730574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).