N-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide

C19H26N4O5 — CID 135859296

IUPACN-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
SMILESCOCCNC(=O)CCc1nnc(-c2ccc(OC(C)C)c(OC)c2)[nH]c1=O
InChIInChI=1S/C19H26N4O5/c1-12(2)28-15-7-5-13(11-16(15)27-4)18-21-19(25)14(22-23-18)6-8-17(24)20-9-10-26-3/h5,7,11-12H,6,8-10H2,1-4H3,(H,20,24)(H,21,23,25)
InChIKeyRAOIGFPUBSKZCF-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.32
Rot. Bonds10

About N-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide

N-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide (PubChem CID 135859296) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
PubChem CID135859296
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC NameN-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
SMILESCOCCNC(=O)CCc1nnc(-c2ccc(OC(C)C)c(OC)c2)[nH]c1=O
InChIInChI=1S/C19H26N4O5/c1-12(2)28-15-7-5-13(11-16(15)27-4)18-21-19(25)14(22-23-18)6-8-17(24)20-9-10-26-3/h5,7,11-12H,6,8-10H2,1-4H3,(H,20,24)(H,21,23,25)
InChIKeyRAOIGFPUBSKZCF-UHFFFAOYSA-N
XLogP1.32
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-ethoxy-3-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(3-methylbutyl)propanamide
CID 135868608
3-[3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methoxyethyl)propanamide
CID 135872100
3-[3-(3,4-dimethoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 135868573
3-[3-(3,4-dimethoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 135868572
3-[3-(4-butan-2-yloxy-3-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 135868709
N-(2-methoxyethyl)-3-[3-(4-methylsulfonylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135872475
3-[3-[3-methoxy-4-(2-methylpropoxy)phenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(3-phenylpropyl)propanamide
CID 135868728
3-[3-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(3-methoxypropyl)propanamide
CID 135872090
3-[3-(4-but-3-enoxy-3-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-phenoxyethyl)propanamide
CID 135872205
3-[3-(3-methoxy-4-phenylmethoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide
CID 135859298
N-benzyl-3-[3-(4-ethoxy-3-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135859320
3-[3-(3-butoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methoxyethyl)propanamide
CID 135871939

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide (CID 135859296) is N-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide is COCCNC(=O)CCc1nnc(-c2ccc(OC(C)C)c(OC)c2)[nH]c1=O.
What is the InChIKey of N-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The InChIKey is RAOIGFPUBSKZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-12(2)28-15-7-5-13(11-16(15)27-4)18-21-19(25)14(22-23-18)6-8-17(24)20-9-10-26-3/h5,7,11-12H,6,8-10H2,1-4H3,(H,20,24)(H,21,23,25).
What are the key properties of N-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
N-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide has a molecular weight of 390.44 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[3-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide is sourced from PubChem (CID 135859296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).