6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine

C12H10BrN3O — CID 146669497

IUPAC6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine
SMILESBrc1cc(NCc2ccco2)c2cn[nH]c2c1
InChIInChI=1S/C12H10BrN3O/c13-8-4-11(10-7-15-16-12(10)5-8)14-6-9-2-1-3-17-9/h1-5,7,14H,6H2,(H,15,16)
InChIKeyVFWQBQSUFWLQMU-UHFFFAOYSA-N
MW292.14 g/mol
LogP3.53
Rot. Bonds3

About 6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine

6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine (PubChem CID 146669497) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine.

Molecular Properties

Compound Name6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine
PubChem CID146669497
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine
SMILESBrc1cc(NCc2ccco2)c2cn[nH]c2c1
InChIInChI=1S/C12H10BrN3O/c13-8-4-11(10-7-15-16-12(10)5-8)14-6-9-2-1-3-17-9/h1-5,7,14H,6H2,(H,15,16)
InChIKeyVFWQBQSUFWLQMU-UHFFFAOYSA-N
XLogP3.53
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-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-N-(furan-2-ylmethyl)-1H-indazol-4-amine?
The IUPAC name of 6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine (CID 146669497) is 6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine.
What is the SMILES notation for 6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine?
The canonical SMILES for 6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine is Brc1cc(NCc2ccco2)c2cn[nH]c2c1.
What is the InChIKey of 6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine?
The InChIKey is VFWQBQSUFWLQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-8-4-11(10-7-15-16-12(10)5-8)14-6-9-2-1-3-17-9/h1-5,7,14H,6H2,(H,15,16).
What are the key properties of 6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine?
6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine has a molecular weight of 292.14 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(furan-2-ylmethyl)-1H-indazol-4-amine is sourced from PubChem (CID 146669497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).