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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Related Compounds

N-[5-amino-4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 82342305
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 63525974
N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide
CID 134202702
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide
CID 21856
N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide
CID 24810354
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 44615693
N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide
CID 100749567
N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide
CID 23000446
5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 39323871

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).