2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline

C10H10Br2N4 — CID 63111768

IUPAC2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline
SMILESCCn1ncnc1-c1cc(Br)cc(Br)c1N
InChIInChI=1S/C10H10Br2N4/c1-2-16-10(14-5-15-16)7-3-6(11)4-8(12)9(7)13/h3-5H,2,13H2,1H3
InChIKeyFELTYEJDOWXTFG-UHFFFAOYSA-N
MW346.03 g/mol
LogP3.07
Rot. Bonds2

About 2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline

2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline (PubChem CID 63111768) has the molecular formula C10H10Br2N4 and a molecular weight of 346.03 g/mol. Its IUPAC name is 2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline
PubChem CID63111768
Molecular FormulaC10H10Br2N4
Molecular Weight346.03 g/mol
Exact Mass343.93
IUPAC Name2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline
SMILESCCn1ncnc1-c1cc(Br)cc(Br)c1N
InChIInChI=1S/C10H10Br2N4/c1-2-16-10(14-5-15-16)7-3-6(11)4-8(12)9(7)13/h3-5H,2,13H2,1H3
InChIKeyFELTYEJDOWXTFG-UHFFFAOYSA-N
XLogP3.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.03
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline (CID 63111768) is 2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline is CCn1ncnc1-c1cc(Br)cc(Br)c1N.
What is the InChIKey of 2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is FELTYEJDOWXTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N4/c1-2-16-10(14-5-15-16)7-3-6(11)4-8(12)9(7)13/h3-5H,2,13H2,1H3.
What are the key properties of 2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline?
2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 346.03 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 63111768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).