N-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide

C14H18N4O3 — CID 39877731

IUPACN-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCOCCNC(=O)C1=NCC(=O)N(c2ccc(C)cc2)N1
InChIInChI=1S/C14H18N4O3/c1-10-3-5-11(6-4-10)18-12(19)9-16-13(17-18)14(20)15-7-8-21-2/h3-6H,7-9H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyOUHPBJIBMRNIRA-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.01
Rot. Bonds5

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

N-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 39877731) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID39877731
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCOCCNC(=O)C1=NCC(=O)N(c2ccc(C)cc2)N1
InChIInChI=1S/C14H18N4O3/c1-10-3-5-11(6-4-10)18-12(19)9-16-13(17-18)14(20)15-7-8-21-2/h3-6H,7-9H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyOUHPBJIBMRNIRA-UHFFFAOYSA-N
XLogP0.01
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 39877731) is N-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide is COCCNC(=O)C1=NCC(=O)N(c2ccc(C)cc2)N1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is OUHPBJIBMRNIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-10-3-5-11(6-4-10)18-12(19)9-16-13(17-18)14(20)15-7-8-21-2/h3-6H,7-9H2,1-2H3,(H,15,20)(H,16,17).
What are the key properties of N-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?
N-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 39877731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).