2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone

C11H11BrN4O — CID 106464076

IUPAC2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone
SMILESCn1nnc(Br)c1C(=O)CNc1ccccc1
InChIInChI=1S/C11H11BrN4O/c1-16-10(11(12)14-15-16)9(17)7-13-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3
InChIKeyDFIHCGCTKREXSH-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.87
Rot. Bonds4

About 2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone

2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone (PubChem CID 106464076) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone
PubChem CID106464076
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone
SMILESCn1nnc(Br)c1C(=O)CNc1ccccc1
InChIInChI=1S/C11H11BrN4O/c1-16-10(11(12)14-15-16)9(17)7-13-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3
InChIKeyDFIHCGCTKREXSH-UHFFFAOYSA-N
XLogP1.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(5-bromo-3-methyltriazol-4-yl)propan-1-one
CID 84795806
2-anilino-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114668471
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanylethanone
CID 106461570
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
1-(5-bromo-3-methyltriazol-4-yl)-2-propan-2-ylsulfanylethanone
CID 106461572
1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-one
CID 106464403
(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone
CID 106461541
2-anilino-1-(2-chlorophenyl)ethanone
CID 116555252
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone
CID 106461754
(5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone
CID 106461467
1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 106464369
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone?
The IUPAC name of 2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone (CID 106464076) is 2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone?
The canonical SMILES for 2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone is Cn1nnc(Br)c1C(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone?
The InChIKey is DFIHCGCTKREXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-16-10(11(12)14-15-16)9(17)7-13-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3.
What are the key properties of 2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone?
2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone has a molecular weight of 295.14 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 106464076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).