N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide

C11H8BrFN4O — CID 175077902

IUPACN-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide
SMILESCC(=O)Nc1nnc(Br)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H8BrFN4O/c1-6(18)14-11-15-9(10(12)16-17-11)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,17,18)
InChIKeyUEIXFUUMGIKIHD-UHFFFAOYSA-N
MW311.11 g/mol
LogP2.40
Rot. Bonds2

About N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide

N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide (PubChem CID 175077902) has the molecular formula C11H8BrFN4O and a molecular weight of 311.11 g/mol. Its IUPAC name is N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide
PubChem CID175077902
Molecular FormulaC11H8BrFN4O
Molecular Weight311.11 g/mol
Exact Mass309.99
IUPAC NameN-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide
SMILESCC(=O)Nc1nnc(Br)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H8BrFN4O/c1-6(18)14-11-15-9(10(12)16-17-11)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,17,18)
InChIKeyUEIXFUUMGIKIHD-UHFFFAOYSA-N
XLogP2.40
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide?
The IUPAC name of N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide (CID 175077902) is N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide.
What is the SMILES notation for N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide?
The canonical SMILES for N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide is CC(=O)Nc1nnc(Br)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide?
The InChIKey is UEIXFUUMGIKIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN4O/c1-6(18)14-11-15-9(10(12)16-17-11)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,17,18).
What are the key properties of N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide?
N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide has a molecular weight of 311.11 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide is sourced from PubChem (CID 175077902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).