6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine

C11H11BrF3N3O — CID 162364486

IUPAC6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine
SMILESCC(Oc1cc(Br)cc2c1c(N)nn2C)C(F)(F)F
InChIInChI=1S/C11H11BrF3N3O/c1-5(11(13,14)15)19-8-4-6(12)3-7-9(8)10(16)17-18(7)2/h3-5H,1-2H3,(H2,16,17)
InChIKeyXRFIHIWRAFPZSF-UHFFFAOYSA-N
MW338.13 g/mol
LogP3.25
Rot. Bonds2

About 6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine

6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine (PubChem CID 162364486) has the molecular formula C11H11BrF3N3O and a molecular weight of 338.13 g/mol. Its IUPAC name is 6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine.

Molecular Properties

Compound Name6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine
PubChem CID162364486
Molecular FormulaC11H11BrF3N3O
Molecular Weight338.13 g/mol
Exact Mass337.00
IUPAC Name6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine
SMILESCC(Oc1cc(Br)cc2c1c(N)nn2C)C(F)(F)F
InChIInChI=1S/C11H11BrF3N3O/c1-5(11(13,14)15)19-8-4-6(12)3-7-9(8)10(16)17-18(7)2/h3-5H,1-2H3,(H2,16,17)
InChIKeyXRFIHIWRAFPZSF-UHFFFAOYSA-N
XLogP3.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.13
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine?
The IUPAC name of 6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine (CID 162364486) is 6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine.
What is the SMILES notation for 6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine?
The canonical SMILES for 6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine is CC(Oc1cc(Br)cc2c1c(N)nn2C)C(F)(F)F.
What is the InChIKey of 6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine?
The InChIKey is XRFIHIWRAFPZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3N3O/c1-5(11(13,14)15)19-8-4-6(12)3-7-9(8)10(16)17-18(7)2/h3-5H,1-2H3,(H2,16,17).
What are the key properties of 6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine?
6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine has a molecular weight of 338.13 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-4-(1,1,1-trifluoropropan-2-yloxy)indazol-3-amine is sourced from PubChem (CID 162364486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).