3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide

C22H24N4O3 — CID 136836985

IUPAC3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide
SMILESCOc1ccccc1Cc1nnc(CCC(=O)N[C@@H](C)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C22H24N4O3/c1-15(16-8-4-3-5-9-16)23-21(27)13-12-18-22(28)24-20(26-25-18)14-17-10-6-7-11-19(17)29-2/h3-11,15H,12-14H2,1-2H3,(H,23,27)(H,24,26,28)/t15-/m0/s1
InChIKeyVLORDRHULSQWGV-HNNXBMFYSA-N
MW392.46 g/mol
LogP2.57
Rot. Bonds8

About 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide

3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 136836985) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide
PubChem CID136836985
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide
SMILESCOc1ccccc1Cc1nnc(CCC(=O)N[C@@H](C)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C22H24N4O3/c1-15(16-8-4-3-5-9-16)23-21(27)13-12-18-22(28)24-20(26-25-18)14-17-10-6-7-11-19(17)29-2/h3-11,15H,12-14H2,1-2H3,(H,23,27)(H,24,26,28)/t15-/m0/s1
InChIKeyVLORDRHULSQWGV-HNNXBMFYSA-N
XLogP2.57
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide
CID 135872356
3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
CID 135859607
3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 136836987
3-[3-(3-chloro-4-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(1-phenylethyl)propanamide
CID 135872250
N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 55575144
N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide
CID 108945872
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-(1-phenylethyl)propanamide
CID 110298844
3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 135954015

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide (CID 136836985) is 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide is COc1ccccc1Cc1nnc(CCC(=O)N[C@@H](C)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is VLORDRHULSQWGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15(16-8-4-3-5-9-16)23-21(27)13-12-18-22(28)24-20(26-25-18)14-17-10-6-7-11-19(17)29-2/h3-11,15H,12-14H2,1-2H3,(H,23,27)(H,24,26,28)/t15-/m0/s1.
What are the key properties of 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide?
3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 392.46 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 136836985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).