N-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide

C22H24N4O3 — CID 42835908

IUPACN-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCCN(C)C(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C22H24N4O3/c1-5-24(4)20(27)19-21(28)25(14-17-10-6-15(2)7-11-17)22(29)26(23-19)18-12-8-16(3)9-13-18/h6-13H,5,14H2,1-4H3
InChIKeyXMEODNMJZLQIOF-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.15
Rot. Bonds5

About N-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide

N-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 42835908) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
PubChem CID42835908
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCCN(C)C(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C22H24N4O3/c1-5-24(4)20(27)19-21(28)25(14-17-10-6-15(2)7-11-17)22(29)26(23-19)18-12-8-16(3)9-13-18/h6-13H,5,14H2,1-4H3
InChIKeyXMEODNMJZLQIOF-UHFFFAOYSA-N
XLogP2.15
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide with MolForge

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Related Compounds

N-ethyl-2-(3-fluoro-4-methylphenyl)-N-methyl-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005858
4-benzyl-2-(3,5-dimethylphenyl)-N-ethyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46006052
N-ethyl-2-(4-methoxyphenyl)-N-methyl-3,5-dioxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxamide
CID 42836023
2-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-N-ethyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836464
N,4-bis[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004746
2-(4-chlorophenyl)-4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835780
2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 42835907
N-ethyl-4-[(3-methoxyphenyl)methyl]-N-methyl-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide
CID 42836168
4-benzyl-N-(2-methoxyethyl)-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004712
2-(3-chloro-4-methylphenyl)-N-ethyl-4-[(2-fluorophenyl)methyl]-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836403
N-[(2S)-butan-2-yl]-4-[(4-methylphenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 93159051
N-[(4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide
CID 46005383

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 42835908) is N-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide is CCN(C)C(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2ccc(C)cc2)c1=O.
What is the InChIKey of N-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The InChIKey is XMEODNMJZLQIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-5-24(4)20(27)19-21(28)25(14-17-10-6-15(2)7-11-17)22(29)26(23-19)18-12-8-16(3)9-13-18/h6-13H,5,14H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide?
N-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 42835908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).