N-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide

C24H25FN4O3 — CID 42835851

IUPACN-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
SMILESCN(C(=O)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(F)c2)c1=O)C1CCCCC1
InChIInChI=1S/C24H25FN4O3/c1-27(19-11-4-2-5-12-19)22(30)21-23(31)28(16-17-9-8-10-18(25)15-17)24(32)29(26-21)20-13-6-3-7-14-20/h3,6-10,13-15,19H,2,4-5,11-12,16H2,1H3
InChIKeyWQRSHJHGXOEFSP-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.99
Rot. Bonds5

About N-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide

N-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide (PubChem CID 42835851) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
PubChem CID42835851
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
SMILESCN(C(=O)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(F)c2)c1=O)C1CCCCC1
InChIInChI=1S/C24H25FN4O3/c1-27(19-11-4-2-5-12-19)22(30)21-23(31)28(16-17-9-8-10-18(25)15-17)24(32)29(26-21)20-13-6-3-7-14-20/h3,6-10,13-15,19H,2,4-5,11-12,16H2,1H3
InChIKeyWQRSHJHGXOEFSP-UHFFFAOYSA-N
XLogP2.99
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004216
N-cyclohexyl-2-(3-fluoro-4-methylphenyl)-N-methyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836356
N-benzyl-2-(3-fluorophenyl)-N-methyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005787
N-benzyl-2-(4-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004098
4-[(3-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-N-[(1S)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159078
N-[(2S)-butan-2-yl]-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 93159077
4-[(3-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 46004408
N,N-diethyl-4-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005238
N,N-diethyl-2-(3-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005784
2-(4-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide
CID 46149606
2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835803
N-benzyl-2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 83283616

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide (CID 42835851) is N-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide is CN(C(=O)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(F)c2)c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide?
The InChIKey is WQRSHJHGXOEFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-27(19-11-4-2-5-12-19)22(30)21-23(31)28(16-17-9-8-10-18(25)15-17)24(32)29(26-21)20-13-6-3-7-14-20/h3,6-10,13-15,19H,2,4-5,11-12,16H2,1H3.
What are the key properties of N-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide?
N-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 42835851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).