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

C13H14N4O — CID 27046784

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(C)c(C)n2)cc1
InChIInChI=1S/C13H14N4O/c1-8-4-6-11(7-5-8)12(18)15-13-14-9(2)10(3)16-17-13/h4-7H,1-3H3,(H,14,15,17,18)
InChIKeyNFFRGKCNBKORBR-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.05
Rot. Bonds2

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

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide (PubChem CID 27046784) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide
PubChem CID27046784
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(C)c(C)n2)cc1
InChIInChI=1S/C13H14N4O/c1-8-4-6-11(7-5-8)12(18)15-13-14-9(2)10(3)16-17-13/h4-7H,1-3H3,(H,14,15,17,18)
InChIKeyNFFRGKCNBKORBR-UHFFFAOYSA-N
XLogP2.05
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide
CID 114388178
4-carbamothioyl-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114387992
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzamide
CID 114386611
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide
CID 114389344
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 114387472
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712841
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 114389412
3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114020153
5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 114388882
6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 114389346
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3-difluorobenzamide
CID 114387271
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(ethylamino)-6-methylpyridine-4-carboxamide
CID 114389401

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide (CID 27046784) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nnc(C)c(C)n2)cc1.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide?
The InChIKey is NFFRGKCNBKORBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-4-6-11(7-5-8)12(18)15-13-14-9(2)10(3)16-17-13/h4-7H,1-3H3,(H,14,15,17,18).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide has a molecular weight of 242.28 g/mol, XLogP of 2.05, 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)-4-methylbenzamide is sourced from PubChem (CID 27046784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).