2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

C20H19ClN4O5 — CID 53088640

IUPAC2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)c(OC)c1
InChIInChI=1S/C20H19ClN4O5/c1-23(15-10-9-14(29-3)11-16(15)30-4)18(26)17-19(27)24(2)20(28)25(22-17)13-7-5-12(21)6-8-13/h5-11H,1-4H3
InChIKeyACBPRKTUUFOPNY-UHFFFAOYSA-N
MW430.85 g/mol
LogP1.88
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 53088640) has the molecular formula C20H19ClN4O5 and a molecular weight of 430.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
PubChem CID53088640
Molecular FormulaC20H19ClN4O5
Molecular Weight430.85 g/mol
Exact Mass430.10
IUPAC Name2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)c(OC)c1
InChIInChI=1S/C20H19ClN4O5/c1-23(15-10-9-14(29-3)11-16(15)30-4)18(26)17-19(27)24(2)20(28)25(22-17)13-7-5-12(21)6-8-13/h5-11H,1-4H3
InChIKeyACBPRKTUUFOPNY-UHFFFAOYSA-N
XLogP1.88
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.85
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide with MolForge

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53008445
N-(5-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856022
N-butyl-2-(4-chlorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088619
2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088667
2-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 53008450
2-(4-chlorophenyl)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-1,2,4-triazine-3,5-dione
CID 53088631
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
CID 4310437
1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
CID 3968886
1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 5028936
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662519
2-(4-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-1,2,4-triazine-3,5-dione
CID 53088661
1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 175940948

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 53088640) is 2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is COc1ccc(N(C)C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)c(OC)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The InChIKey is ACBPRKTUUFOPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O5/c1-23(15-10-9-14(29-3)11-16(15)30-4)18(26)17-19(27)24(2)20(28)25(22-17)13-7-5-12(21)6-8-13/h5-11H,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 430.85 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 53088640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).