N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide

C17H22N4O4 — CID 24712676

IUPACN-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCCOC)nn(-c2cccc(C)c2)c1=O
InChIInChI=1S/C17H22N4O4/c1-4-9-20-16(23)14(15(22)18-8-10-25-3)19-21(17(20)24)13-7-5-6-12(2)11-13/h5-7,11H,4,8-10H2,1-3H3,(H,18,22)
InChIKeyHQYHMRHPCLUHNA-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.49
Rot. Bonds7

About N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide

N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide (PubChem CID 24712676) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide
PubChem CID24712676
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCCOC)nn(-c2cccc(C)c2)c1=O
InChIInChI=1S/C17H22N4O4/c1-4-9-20-16(23)14(15(22)18-8-10-25-3)19-21(17(20)24)13-7-5-6-12(2)11-13/h5-7,11H,4,8-10H2,1-3H3,(H,18,22)
InChIKeyHQYHMRHPCLUHNA-UHFFFAOYSA-N
XLogP0.49
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835986
2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46006094
4-benzyl-N-(3-methoxypropyl)-2-(3-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004938
2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46006138
4-[(3-methylphenyl)methyl]-3,5-dioxo-2-phenyl-N-propyl-1,2,4-triazine-6-carboxamide
CID 46004382
2-(3-chlorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide
CID 46005307
4-benzyl-N-(2-methoxyethyl)-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004712
N-ethyl-2-(3-methylphenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005082
2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide
CID 46005441
4-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 42835818
4-benzyl-N-(cyclopropylmethyl)-2-(3-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835967
N-(3-methoxypropyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide
CID 42836209

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide (CID 24712676) is N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide is CCCn1c(=O)c(C(=O)NCCOC)nn(-c2cccc(C)c2)c1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide?
The InChIKey is HQYHMRHPCLUHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-4-9-20-16(23)14(15(22)18-8-10-25-3)19-21(17(20)24)13-7-5-6-12(2)11-13/h5-7,11H,4,8-10H2,1-3H3,(H,18,22).
What are the key properties of N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide?
N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 24712676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).