5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide

C13H14ClN5O — CID 114389340

IUPAC5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C13H14ClN5O/c1-7-8(2)18-19-13(16-7)17-12(20)10-6-9(14)4-5-11(10)15-3/h4-6,15H,1-3H3,(H,16,17,19,20)
InChIKeyIYLQZALIDHUESB-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.44
Rot. Bonds3

About 5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide

5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide (PubChem CID 114389340) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide
PubChem CID114389340
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C13H14ClN5O/c1-7-8(2)18-19-13(16-7)17-12(20)10-6-9(14)4-5-11(10)15-3/h4-6,15H,1-3H3,(H,16,17,19,20)
InChIKeyIYLQZALIDHUESB-UHFFFAOYSA-N
XLogP2.44
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114024558
5-chloro-N-(3,5-dimethylphenyl)-2-(methylamino)benzamide
CID 62165706
5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide
CID 62173538
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide
CID 114387271
5-chloro-N-(2,5-difluorophenyl)-2-(methylamino)benzamide
CID 62172768
N-(3-bromo-5-methylphenyl)-5-chloro-2-(methylamino)benzamide
CID 107578575
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide
CID 62185060
3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114020153
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzamide
CID 114386611
5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114386548
5-chloro-N-(4-cyanophenyl)-2-(methylamino)benzamide
CID 62166046

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide?
The IUPAC name of 5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide (CID 114389340) is 5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide?
The canonical SMILES for 5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide is CNc1ccc(Cl)cc1C(=O)Nc1nnc(C)c(C)n1.
What is the InChIKey of 5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide?
The InChIKey is IYLQZALIDHUESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-7-8(2)18-19-13(16-7)17-12(20)10-6-9(14)4-5-11(10)15-3/h4-6,15H,1-3H3,(H,16,17,19,20).
What are the key properties of 5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide?
5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide has a molecular weight of 291.74 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(methylamino)benzamide is sourced from PubChem (CID 114389340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).