(2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide

C22H24N4O3 — CID 94009933

IUPAC(2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCOc1cccc(-c2cnn([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)c(=O)n2)c1
InChIInChI=1S/C22H24N4O3/c1-13-9-14(2)20(15(3)10-13)25-21(27)16(4)26-22(28)24-19(12-23-26)17-7-6-8-18(11-17)29-5/h6-12,16H,1-5H3,(H,25,27)/t16-/m1/s1
InChIKeyCVQKPOJGTKTYNV-MRXNPFEDSA-N
MW392.46 g/mol
LogP3.44
Rot. Bonds5

About (2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide

(2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 94009933) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID94009933
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCOc1cccc(-c2cnn([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)c(=O)n2)c1
InChIInChI=1S/C22H24N4O3/c1-13-9-14(2)20(15(3)10-13)25-21(27)16(4)26-22(28)24-19(12-23-26)17-7-6-8-18(11-17)29-5/h6-12,16H,1-5H3,(H,25,27)/t16-/m1/s1
InChIKeyCVQKPOJGTKTYNV-MRXNPFEDSA-N
XLogP3.44
TPSA86.11 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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 51345656
(2R)-N-(2-chloro-6-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 94009941
(2S)-N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062251
(2R)-N-(4-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062263
(2S)-N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062258
N-(3-methylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 50752296
(2S)-N-(3-methylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902714
(2R)-N-(4-fluoro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062269
(2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide
CID 92902778
2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-phenylpropanamide
CID 50752258
N-(3,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 142338864
(2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
CID 92902674

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of (2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide (CID 94009933) is (2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for (2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide is COc1cccc(-c2cnn([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)c(=O)n2)c1.
What is the InChIKey of (2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is CVQKPOJGTKTYNV-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-9-14(2)20(15(3)10-13)25-21(27)16(4)26-22(28)24-19(12-23-26)17-7-6-8-18(11-17)29-5/h6-12,16H,1-5H3,(H,25,27)/t16-/m1/s1.
What are the key properties of (2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide?
(2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 94009933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).