6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine

C15H15BrN4 — CID 107490746

IUPAC6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine
SMILESCCc1cc(Br)ccc1Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C15H15BrN4/c1-2-9-5-11(16)3-4-13(9)19-15-7-14-10(6-12(15)17)8-18-20-14/h3-8,19H,2,17H2,1H3,(H,18,20)
InChIKeyAXDXCECXMJOUMW-UHFFFAOYSA-N
MW331.22 g/mol
LogP4.21
Rot. Bonds3

About 6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine

6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine (PubChem CID 107490746) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine
PubChem CID107490746
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine
SMILESCCc1cc(Br)ccc1Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C15H15BrN4/c1-2-9-5-11(16)3-4-13(9)19-15-7-14-10(6-12(15)17)8-18-20-14/h3-8,19H,2,17H2,1H3,(H,18,20)
InChIKeyAXDXCECXMJOUMW-UHFFFAOYSA-N
XLogP4.21
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine (CID 107490746) is 6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine is CCc1cc(Br)ccc1Nc1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine?
The InChIKey is AXDXCECXMJOUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-2-9-5-11(16)3-4-13(9)19-15-7-14-10(6-12(15)17)8-18-20-14/h3-8,19H,2,17H2,1H3,(H,18,20).
What are the key properties of 6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine?
6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine has a molecular weight of 331.22 g/mol, XLogP of 4.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107490746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).