5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide

C12H12BrN5O — CID 114386548

IUPAC5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
SMILESCc1nnc(NC(=O)c2cc(N)ccc2Br)nc1C
InChIInChI=1S/C12H12BrN5O/c1-6-7(2)17-18-12(15-6)16-11(19)9-5-8(14)3-4-10(9)13/h3-5H,14H2,1-2H3,(H,15,16,18,19)
InChIKeyOYKCVKJQDIPTTJ-UHFFFAOYSA-N
MW322.17 g/mol
LogP2.09
Rot. Bonds2

About 5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide

5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide (PubChem CID 114386548) has the molecular formula C12H12BrN5O and a molecular weight of 322.17 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
PubChem CID114386548
Molecular FormulaC12H12BrN5O
Molecular Weight322.17 g/mol
Exact Mass321.02
IUPAC Name5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
SMILESCc1nnc(NC(=O)c2cc(N)ccc2Br)nc1C
InChIInChI=1S/C12H12BrN5O/c1-6-7(2)17-18-12(15-6)16-11(19)9-5-8(14)3-4-10(9)13/h3-5H,14H2,1-2H3,(H,15,16,18,19)
InChIKeyOYKCVKJQDIPTTJ-UHFFFAOYSA-N
XLogP2.09
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114024558
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide
CID 114387271
5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819398
5-amino-2-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433346
5-amino-2-bromo-N-pyrimidin-5-ylbenzamide
CID 107587335
4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386867
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzamide
CID 114386611
5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide
CID 115297143
5-amino-2-bromo-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 115297412
4-carbamothioyl-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114387992
2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide
CID 114387555

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide (CID 114386548) is 5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide is Cc1nnc(NC(=O)c2cc(N)ccc2Br)nc1C.
What is the InChIKey of 5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide?
The InChIKey is OYKCVKJQDIPTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5O/c1-6-7(2)17-18-12(15-6)16-11(19)9-5-8(14)3-4-10(9)13/h3-5H,14H2,1-2H3,(H,15,16,18,19).
What are the key properties of 5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide?
5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide has a molecular weight of 322.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide is sourced from PubChem (CID 114386548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).