N-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide

C12H11BrN4O — CID 23003189

IUPACN-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide
SMILESCC(=O)N(Br)c1nc(C)nnc1-c1ccccc1
InChIInChI=1S/C12H11BrN4O/c1-8-14-12(17(13)9(2)18)11(16-15-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyMYZAXGFYMIILSC-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.51
Rot. Bonds2

About N-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide

N-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide (PubChem CID 23003189) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is N-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide
PubChem CID23003189
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC NameN-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide
SMILESCC(=O)N(Br)c1nc(C)nnc1-c1ccccc1
InChIInChI=1S/C12H11BrN4O/c1-8-14-12(17(13)9(2)18)11(16-15-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyMYZAXGFYMIILSC-UHFFFAOYSA-N
XLogP2.51
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide?
The IUPAC name of N-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide (CID 23003189) is N-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide.
What is the SMILES notation for N-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide?
The canonical SMILES for N-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide is CC(=O)N(Br)c1nc(C)nnc1-c1ccccc1.
What is the InChIKey of N-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide?
The InChIKey is MYZAXGFYMIILSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c1-8-14-12(17(13)9(2)18)11(16-15-8)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of N-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide?
N-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide has a molecular weight of 307.15 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide is sourced from PubChem (CID 23003189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).