N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide

C12H10F2N4O — CID 114387271

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide
SMILESCc1nnc(NC(=O)c2cccc(F)c2F)nc1C
InChIInChI=1S/C12H10F2N4O/c1-6-7(2)17-18-12(15-6)16-11(19)8-4-3-5-9(13)10(8)14/h3-5H,1-2H3,(H,15,16,18,19)
InChIKeyGXJVPXRJZNZEDS-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.02
Rot. Bonds2

About N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide (PubChem CID 114387271) has the molecular formula C12H10F2N4O and a molecular weight of 264.24 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide
PubChem CID114387271
Molecular FormulaC12H10F2N4O
Molecular Weight264.24 g/mol
Exact Mass264.08
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide
SMILESCc1nnc(NC(=O)c2cccc(F)c2F)nc1C
InChIInChI=1S/C12H10F2N4O/c1-6-7(2)17-18-12(15-6)16-11(19)8-4-3-5-9(13)10(8)14/h3-5H,1-2H3,(H,15,16,18,19)
InChIKeyGXJVPXRJZNZEDS-UHFFFAOYSA-N
XLogP2.02
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-nitrobenzamide
CID 114389407
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114387518
5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114386548
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzamide
CID 114386611
2-bromo-4-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114024558
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide
CID 114389340
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
2,3-difluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055067
2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387337
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)pyridine-3-carboxamide
CID 114389358
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 114389388

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide (CID 114387271) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide is Cc1nnc(NC(=O)c2cccc(F)c2F)nc1C.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide?
The InChIKey is GXJVPXRJZNZEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O/c1-6-7(2)17-18-12(15-6)16-11(19)8-4-3-5-9(13)10(8)14/h3-5H,1-2H3,(H,15,16,18,19).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide has a molecular weight of 264.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide is sourced from PubChem (CID 114387271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).