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

C15H19N5O — CID 114389344

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide
SMILESCCNc1ccc(C(=O)Nc2nnc(C)c(C)n2)cc1C
InChIInChI=1S/C15H19N5O/c1-5-16-13-7-6-12(8-9(13)2)14(21)18-15-17-10(3)11(4)19-20-15/h6-8,16H,5H2,1-4H3,(H,17,18,20,21)
InChIKeyLDSWAPACXYNHKT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.48
Rot. Bonds4

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

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide (PubChem CID 114389344) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide
PubChem CID114389344
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide
SMILESCCNc1ccc(C(=O)Nc2nnc(C)c(C)n2)cc1C
InChIInChI=1S/C15H19N5O/c1-5-16-13-7-6-12(8-9(13)2)14(21)18-15-17-10(3)11(4)19-20-15/h6-8,16H,5H2,1-4H3,(H,17,18,20,21)
InChIKeyLDSWAPACXYNHKT-UHFFFAOYSA-N
XLogP2.48
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(ethylamino)-6-methylpyridine-4-carboxamide
CID 114389401
4-(ethylamino)-3-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 79043080
N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63210459
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)-4-hydroxybenzamide
CID 114388178
N-(3,4-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63209750
N-(3,5-dichlorophenyl)-4-(ethylamino)-3-methylbenzamide
CID 63501283
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzamide
CID 114386611
4-(ethylamino)-3-methyl-N-thiophen-3-ylbenzamide
CID 66354623
4-(ethylamino)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63210150
4-carbamothioyl-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114387992
4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide
CID 79046684

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide (CID 114389344) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide is CCNc1ccc(C(=O)Nc2nnc(C)c(C)n2)cc1C.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide?
The InChIKey is LDSWAPACXYNHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-5-16-13-7-6-12(8-9(13)2)14(21)18-15-17-10(3)11(4)19-20-15/h6-8,16H,5H2,1-4H3,(H,17,18,20,21).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide is sourced from PubChem (CID 114389344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).