N-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide

C18H24N4O5 — CID 135859525

IUPACN-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide
SMILESCCN(C)C(=O)CCc1nnc(-c2cc(OC)c(OC)c(OC)c2)[nH]c1=O
InChIInChI=1S/C18H24N4O5/c1-6-22(2)15(23)8-7-12-18(24)19-17(21-20-12)11-9-13(25-3)16(27-5)14(10-11)26-4/h9-10H,6-8H2,1-5H3,(H,19,21,24)
InChIKeyFMJMWIWJVUZBAA-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.27
Rot. Bonds8

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

N-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide (PubChem CID 135859525) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide
PubChem CID135859525
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC NameN-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide
SMILESCCN(C)C(=O)CCc1nnc(-c2cc(OC)c(OC)c(OC)c2)[nH]c1=O
InChIInChI=1S/C18H24N4O5/c1-6-22(2)15(23)8-7-12-18(24)19-17(21-20-12)11-9-13(25-3)16(27-5)14(10-11)26-4/h9-10H,6-8H2,1-5H3,(H,19,21,24)
InChIKeyFMJMWIWJVUZBAA-UHFFFAOYSA-N
XLogP1.27
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide
CID 135859511
N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide
CID 135859577
N-[(3-fluorophenyl)methyl]-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide
CID 135872279
N-benzyl-3-[3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide
CID 135868676
N-benzyl-3-[3-(4-ethoxy-3-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135859320
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-ethoxy-3-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(3-methylbutyl)propanamide
CID 135868608
3-[3-(3-methoxy-4-prop-2-enoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanoic acid
CID 135871654
ethyl 4-[3-[3-(4-butan-2-yloxy-3-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanoyl]piperazine-1-carboxylate
CID 135872155
N-benzyl-3-[3-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135872131
N-benzyl-3-[3-[4-(2-ethoxyethoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-methylpropanamide
CID 135859156
3-[3-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 135872140

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide?
The IUPAC name of N-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide (CID 135859525) is N-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide?
The canonical SMILES for N-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide is CCN(C)C(=O)CCc1nnc(-c2cc(OC)c(OC)c(OC)c2)[nH]c1=O.
What is the InChIKey of N-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide?
The InChIKey is FMJMWIWJVUZBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-6-22(2)15(23)8-7-12-18(24)19-17(21-20-12)11-9-13(25-3)16(27-5)14(10-11)26-4/h9-10H,6-8H2,1-5H3,(H,19,21,24).
What are the key properties of N-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide?
N-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide has a molecular weight of 376.41 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide is sourced from PubChem (CID 135859525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).