2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline

C10H10Br2N4 — CID 63111769

IUPAC2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline
SMILESCc1nc(-c2cc(Br)cc(Br)c2N)n(C)n1
InChIInChI=1S/C10H10Br2N4/c1-5-14-10(16(2)15-5)7-3-6(11)4-8(12)9(7)13/h3-4H,13H2,1-2H3
InChIKeyQJMAWIFTIUKZJO-UHFFFAOYSA-N
MW346.03 g/mol
LogP2.90
Rot. Bonds1

About 2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline

2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline (PubChem CID 63111769) has the molecular formula C10H10Br2N4 and a molecular weight of 346.03 g/mol. Its IUPAC name is 2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline
PubChem CID63111769
Molecular FormulaC10H10Br2N4
Molecular Weight346.03 g/mol
Exact Mass343.93
IUPAC Name2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline
SMILESCc1nc(-c2cc(Br)cc(Br)c2N)n(C)n1
InChIInChI=1S/C10H10Br2N4/c1-5-14-10(16(2)15-5)7-3-6(11)4-8(12)9(7)13/h3-4H,13H2,1-2H3
InChIKeyQJMAWIFTIUKZJO-UHFFFAOYSA-N
XLogP2.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.03
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 63111708
2,4-dibromo-6-(2-ethyl-1,2,4-triazol-3-yl)aniline
CID 63111768
2,4-dibromo-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 63111859
4-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methoxyaniline
CID 82472146
2-bromo-6-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]aniline
CID 63113377
2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 63495096
3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117456804
4-bromo-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 62722487
2,4-dibromo-6-methylaniline;dihydrobromide
CID 175177436
2,4-dibromo-6-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 55177881
3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137
2,4-dibromo-6-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114876714

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline (CID 63111769) is 2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline is Cc1nc(-c2cc(Br)cc(Br)c2N)n(C)n1.
What is the InChIKey of 2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is QJMAWIFTIUKZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N4/c1-5-14-10(16(2)15-5)7-3-6(11)4-8(12)9(7)13/h3-4H,13H2,1-2H3.
What are the key properties of 2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline?
2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 346.03 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 63111769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).