N-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide

C24H28N4O4 — CID 135859156

IUPACN-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide
SMILESCCOCCOc1ccc(-c2nnc(CCC(=O)N(C)Cc3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C24H28N4O4/c1-3-31-15-16-32-20-11-9-19(10-12-20)23-25-24(30)21(26-27-23)13-14-22(29)28(2)17-18-7-5-4-6-8-18/h4-12H,3,13-17H2,1-2H3,(H,25,27,30)
InChIKeyNCKJAKAQPYRLTB-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.84
Rot. Bonds11

About N-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide

N-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide (PubChem CID 135859156) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide
PubChem CID135859156
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide
SMILESCCOCCOc1ccc(-c2nnc(CCC(=O)N(C)Cc3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C24H28N4O4/c1-3-31-15-16-32-20-11-9-19(10-12-20)23-25-24(30)21(26-27-23)13-14-22(29)28(2)17-18-7-5-4-6-8-18/h4-12H,3,13-17H2,1-2H3,(H,25,27,30)
InChIKeyNCKJAKAQPYRLTB-UHFFFAOYSA-N
XLogP2.84
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-phenoxyethyl)propanamide
CID 135871789
3-[4-(2-ethoxyethoxy)phenyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
CID 135859152
3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-prop-2-enylpropanamide
CID 135868327
3-[5-oxo-3-(4-phenylmethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanoic acid
CID 135871625
3-[3-(4-butoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-phenoxyethyl)propanamide
CID 135859133
N-benzyl-3-[3-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135872131
6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-[3-(2-ethoxyethoxy)phenyl]-4H-1,2,4-triazin-5-one
CID 135871942
3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 135859154
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide
CID 135868278
3-[3-(4-but-3-enoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanoic acid
CID 135871640
N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide
CID 135859577
3-[3-[4-[(3-methoxyphenyl)methoxy]phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanoic acid
CID 135859010

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide (CID 135859156) is N-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide is CCOCCOc1ccc(-c2nnc(CCC(=O)N(C)Cc3ccccc3)c(=O)[nH]2)cc1.
What is the InChIKey of N-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide?
The InChIKey is NCKJAKAQPYRLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-3-31-15-16-32-20-11-9-19(10-12-20)23-25-24(30)21(26-27-23)13-14-22(29)28(2)17-18-7-5-4-6-8-18/h4-12H,3,13-17H2,1-2H3,(H,25,27,30).
What are the key properties of N-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide?
N-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide has a molecular weight of 436.51 g/mol, XLogP of 2.84, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide is sourced from PubChem (CID 135859156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).