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

C13H11BrN4O2 — CID 175081037

IUPACN-acetyl-N-(6-bromo-5-phenyl-1,2,4-triazin-3-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1nnc(Br)c(-c2ccccc2)n1
InChIInChI=1S/C13H11BrN4O2/c1-8(19)18(9(2)20)13-15-11(12(14)16-17-13)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyILXNAHZNQFLOFA-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.20
Rot. Bonds2

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

N-acetyl-N-(6-bromo-5-phenyl-1,2,4-triazin-3-yl)acetamide (PubChem CID 175081037) has the molecular formula C13H11BrN4O2 and a molecular weight of 335.16 g/mol. Its IUPAC name is N-acetyl-N-(6-bromo-5-phenyl-1,2,4-triazin-3-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(6-bromo-5-phenyl-1,2,4-triazin-3-yl)acetamide
PubChem CID175081037
Molecular FormulaC13H11BrN4O2
Molecular Weight335.16 g/mol
Exact Mass334.01
IUPAC NameN-acetyl-N-(6-bromo-5-phenyl-1,2,4-triazin-3-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1nnc(Br)c(-c2ccccc2)n1
InChIInChI=1S/C13H11BrN4O2/c1-8(19)18(9(2)20)13-15-11(12(14)16-17-13)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyILXNAHZNQFLOFA-UHFFFAOYSA-N
XLogP2.20
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Bromo-5-phenyl-1,2,4-triazin-3-amine
CID 86676114
6-Bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
CID 86676117
6-Bromo-5-(3-fluorophenyl)-1,2,4-triazin-3-amine
CID 91620292
6-Bromo-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
CID 121267640
N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide
CID 175077902
5-(Bromoacetamido)-3-methyl-6-phenyl-[1,2,4]triazine
CID 17906119
N-bromo-N-(3-methyl-6-phenyl-1,2,4-triazin-5-yl)acetamide
CID 23003189
6-Bromo-5-(4-ethylphenyl)-1,2,4-triazin-3-amine
CID 121221852
6-Bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine
CID 121267630
Azane;6-bromo-5-phenyl-1,2,4-triazine
CID 121267652
6-(Methylidene-lambda3-bromanyl)-5-phenyl-1,2,4-triazin-3-amine
CID 147002238
1-Amino-1-[3-[amino(carbamoyl)amino]-6-(3-bromophenyl)-1,2,4-triazin-5-yl]urea
CID 174708757

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(6-bromo-5-phenyl-1,2,4-triazin-3-yl)acetamide?
The IUPAC name of N-acetyl-N-(6-bromo-5-phenyl-1,2,4-triazin-3-yl)acetamide (CID 175081037) is N-acetyl-N-(6-bromo-5-phenyl-1,2,4-triazin-3-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(6-bromo-5-phenyl-1,2,4-triazin-3-yl)acetamide?
The canonical SMILES for N-acetyl-N-(6-bromo-5-phenyl-1,2,4-triazin-3-yl)acetamide is CC(=O)N(C(C)=O)c1nnc(Br)c(-c2ccccc2)n1.
What is the InChIKey of N-acetyl-N-(6-bromo-5-phenyl-1,2,4-triazin-3-yl)acetamide?
The InChIKey is ILXNAHZNQFLOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2/c1-8(19)18(9(2)20)13-15-11(12(14)16-17-13)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of N-acetyl-N-(6-bromo-5-phenyl-1,2,4-triazin-3-yl)acetamide?
N-acetyl-N-(6-bromo-5-phenyl-1,2,4-triazin-3-yl)acetamide has a molecular weight of 335.16 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(6-bromo-5-phenyl-1,2,4-triazin-3-yl)acetamide is sourced from PubChem (CID 175081037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).