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

C26H31N5O4 — CID 42836502

IUPAC2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCc1ccc(Cn2c(=O)c(C(=O)NCCN3CCOCC3)nn(-c3cc(C)cc(C)c3)c2=O)cc1
InChIInChI=1S/C26H31N5O4/c1-18-4-6-21(7-5-18)17-30-25(33)23(24(32)27-8-9-29-10-12-35-13-11-29)28-31(26(30)34)22-15-19(2)14-20(3)16-22/h4-7,14-16H,8-13,17H2,1-3H3,(H,27,32)
InChIKeyOEDDBZVZTFOCDU-UHFFFAOYSA-N
MW477.57 g/mol
LogP1.43
Rot. Bonds7

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

2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 42836502) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
PubChem CID42836502
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCc1ccc(Cn2c(=O)c(C(=O)NCCN3CCOCC3)nn(-c3cc(C)cc(C)c3)c2=O)cc1
InChIInChI=1S/C26H31N5O4/c1-18-4-6-21(7-5-18)17-30-25(33)23(24(32)27-8-9-29-10-12-35-13-11-29)28-31(26(30)34)22-15-19(2)14-20(3)16-22/h4-7,14-16H,8-13,17H2,1-3H3,(H,27,32)
InChIKeyOEDDBZVZTFOCDU-UHFFFAOYSA-N
XLogP1.43
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46149799
4-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835918
2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46006079
2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46006094
2-(4-chlorophenyl)-4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835780
2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-6-(morpholine-4-carbonyl)-1,2,4-triazine-3,5-dione
CID 42836241
4-benzyl-N-(2-methoxyethyl)-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004712
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
2-(3,4-dimethylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 46004579
4-benzyl-2-(3,5-dimethylphenyl)-3,5-dioxo-N-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
CID 46006032
2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46006138
5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide
CID 71688703

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The IUPAC name of 2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 42836502) is 2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide is Cc1ccc(Cn2c(=O)c(C(=O)NCCN3CCOCC3)nn(-c3cc(C)cc(C)c3)c2=O)cc1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The InChIKey is OEDDBZVZTFOCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-18-4-6-21(7-5-18)17-30-25(33)23(24(32)27-8-9-29-10-12-35-13-11-29)28-31(26(30)34)22-15-19(2)14-20(3)16-22/h4-7,14-16H,8-13,17H2,1-3H3,(H,27,32).
What are the key properties of 2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 42836502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).