2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide

C11H9FN4O — CID 114387337

IUPAC2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nccnn2)c1F
InChIInChI=1S/C11H9FN4O/c1-7-3-2-4-8(9(7)12)10(17)15-11-13-5-6-14-16-11/h2-6H,1H3,(H,13,15,16,17)
InChIKeyCXACUIGKTIFSNU-UHFFFAOYSA-N
MW232.22 g/mol
LogP1.57
Rot. Bonds2

About 2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide

2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide (PubChem CID 114387337) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
PubChem CID114387337
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nccnn2)c1F
InChIInChI=1S/C11H9FN4O/c1-7-3-2-4-8(9(7)12)10(17)15-11-13-5-6-14-16-11/h2-6H,1H3,(H,13,15,16,17)
InChIKeyCXACUIGKTIFSNU-UHFFFAOYSA-N
XLogP1.57
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114388216
2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114386754
4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387340
2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
CID 105387673
2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389471
N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80718513
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
2-bromo-3-nitro-N-(1,2,4-triazin-3-yl)benzamide
CID 114387365
N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 114387729
2-methyl-6-(1,2,4-triazin-3-ylcarbamoylamino)benzoic acid
CID 114388690
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide
CID 86782432

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide (CID 114387337) is 2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide is Cc1cccc(C(=O)Nc2nccnn2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide?
The InChIKey is CXACUIGKTIFSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c1-7-3-2-4-8(9(7)12)10(17)15-11-13-5-6-14-16-11/h2-6H,1H3,(H,13,15,16,17).
What are the key properties of 2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide?
2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide has a molecular weight of 232.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide is sourced from PubChem (CID 114387337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).