2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

C19H17ClN4O3 — CID 53088667

IUPAC2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)cc1C
InChIInChI=1S/C19H17ClN4O3/c1-11-4-7-14(10-12(11)2)21-17(25)16-18(26)23(3)19(27)24(22-16)15-8-5-13(20)6-9-15/h4-10H,1-3H3,(H,21,25)
InChIKeyGSTCCLZFRVSHMA-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.45
Rot. Bonds3

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

2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 53088667) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
PubChem CID53088667
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)cc1C
InChIInChI=1S/C19H17ClN4O3/c1-11-4-7-14(10-12(11)2)21-17(25)16-18(26)23(3)19(27)24(22-16)15-8-5-13(20)6-9-15/h4-10H,1-3H3,(H,21,25)
InChIKeyGSTCCLZFRVSHMA-UHFFFAOYSA-N
XLogP2.45
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703
N-butyl-2-(4-chlorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088619
N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088755
N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088768
N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 22578709
4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 22578626
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53008445
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
2-(4-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-1,2,4-triazine-3,5-dione
CID 53088661
N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53008425
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 53088667) is 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)cc1C.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The InChIKey is GSTCCLZFRVSHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-11-4-7-14(10-12(11)2)21-17(25)16-18(26)23(3)19(27)24(22-16)15-8-5-13(20)6-9-15/h4-10H,1-3H3,(H,21,25).
What are the key properties of 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 53088667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).