N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

C23H26N4O3 — CID 60617884

IUPACN-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCOc1ccc(C2(NC(=O)C3=NC(C)C(=O)N(c4ccccc4)N3)CCCC2)cc1
InChIInChI=1S/C23H26N4O3/c1-16-22(29)27(18-8-4-3-5-9-18)26-20(24-16)21(28)25-23(14-6-7-15-23)17-10-12-19(30-2)13-11-17/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyXRYXZDWCNTZLRJ-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.92
Rot. Bonds5

About N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 60617884) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID60617884
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCOc1ccc(C2(NC(=O)C3=NC(C)C(=O)N(c4ccccc4)N3)CCCC2)cc1
InChIInChI=1S/C23H26N4O3/c1-16-22(29)27(18-8-4-3-5-9-18)26-20(24-16)21(28)25-23(14-6-7-15-23)17-10-12-19(30-2)13-11-17/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyXRYXZDWCNTZLRJ-UHFFFAOYSA-N
XLogP2.92
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 60617884) is N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is COc1ccc(C2(NC(=O)C3=NC(C)C(=O)N(c4ccccc4)N3)CCCC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is XRYXZDWCNTZLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-22(29)27(18-8-4-3-5-9-18)26-20(24-16)21(28)25-23(14-6-7-15-23)17-10-12-19(30-2)13-11-17/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 60617884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).