N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide

C22H24N4O3 — CID 25106994

IUPACN-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nc(C)c(=O)n(Cc3ccc(C(C)C)cc3)c2=O)c1
InChIInChI=1S/C22H24N4O3/c1-14(2)18-10-8-17(9-11-18)13-25-21(28)15(3)24-26(22(25)29)20-7-5-6-19(12-20)23-16(4)27/h5-12,14H,13H2,1-4H3,(H,23,27)
InChIKeyKMXAOAOBAACVSE-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.83
Rot. Bonds5

About N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide

N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide (PubChem CID 25106994) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide
PubChem CID25106994
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nc(C)c(=O)n(Cc3ccc(C(C)C)cc3)c2=O)c1
InChIInChI=1S/C22H24N4O3/c1-14(2)18-10-8-17(9-11-18)13-25-21(28)15(3)24-26(22(25)29)20-7-5-6-19(12-20)23-16(4)27/h5-12,14H,13H2,1-4H3,(H,23,27)
InChIKeyKMXAOAOBAACVSE-UHFFFAOYSA-N
XLogP2.83
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[6-methyl-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25107086
N-[3-[6-methoxy-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide
CID 59139847
N-[3-[4-[(4-chlorophenyl)methyl]-6-(dimethylamino)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 59139857
N-[3-[6-methoxy-3,5-dioxo-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide
CID 68699566
4-benzyl-N-(3-fluorophenyl)-3,5-dioxo-2-(4-propan-2-ylphenyl)-1,2,4-triazine-6-carboxamide
CID 42836189
4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione
CID 25106995
N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25107438
N-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 68701726
N-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25106722
N-[3-[4-[[4-(dimethylamino)-3-fluorophenyl]methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25106131
N-[3-[4-[(4-cyano-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 68700860
N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25106293

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide (CID 25106994) is N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2nc(C)c(=O)n(Cc3ccc(C(C)C)cc3)c2=O)c1.
What is the InChIKey of N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide?
The InChIKey is KMXAOAOBAACVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(2)18-10-8-17(9-11-18)13-25-21(28)15(3)24-26(22(25)29)20-7-5-6-19(12-20)23-16(4)27/h5-12,14H,13H2,1-4H3,(H,23,27).
What are the key properties of N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide?
N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 25106994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).