6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one

C16H20N4O3 — CID 135561218

IUPAC6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one
SMILESCCOc1ccc(Cc2nnc(N3CCOCC3)[nH]c2=O)cc1
InChIInChI=1S/C16H20N4O3/c1-2-23-13-5-3-12(4-6-13)11-14-15(21)17-16(19-18-14)20-7-9-22-10-8-20/h3-6H,2,7-11H2,1H3,(H,17,19,21)
InChIKeyVSVRQYPDCAMKJF-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.99
Rot. Bonds5

About 6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one

6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one (PubChem CID 135561218) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one
PubChem CID135561218
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one
SMILESCCOc1ccc(Cc2nnc(N3CCOCC3)[nH]c2=O)cc1
InChIInChI=1S/C16H20N4O3/c1-2-23-13-5-3-12(4-6-13)11-14-15(21)17-16(19-18-14)20-7-9-22-10-8-20/h3-6H,2,7-11H2,1H3,(H,17,19,21)
InChIKeyVSVRQYPDCAMKJF-UHFFFAOYSA-N
XLogP0.99
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-((2-hydroxyethyl)amino)-6-(4-methoxybenzyl)-1,2,4-triazin-5(4H)-one
CID 135561200
6-(3,4-Dimethoxybenzyl)-3-[(2-methoxyethyl)amino]-1,2,4-triazin-5-ol
CID 135652092
6-(4-Methoxyphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 12410698
6-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46702858
6-(4-Methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46703014
3-[3-(4-Methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[3-(morpholin-4-YL)propyl]propanamide
CID 46372706
3-(cyclopentylamino)-6-(4-methoxybenzyl)-1,2,4-triazin-5(4H)-one
CID 135561122
6-(4-ethoxybenzyl)-3-((2-morpholinoethyl)amino)-1,2,4-triazin-5(4H)-one
CID 135561239
6-(4-Methoxyphenyl)-3-(morpholin-4-ylamino)-1,2,4-triazin-5-ol
CID 135634765
3-(cyclohexylamino)-6-(4-ethoxybenzyl)-1,2,4-triazin-5(4H)-one
CID 135760285
6-(4-Methoxyphenyl)-3-[(2-phenylethyl)amino]-1,2,4-triazin-5-ol
CID 135634760
N-[amino(morpholin-4-yl)methylidene]-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide
CID 123573737

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one (CID 135561218) is 6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one is CCOc1ccc(Cc2nnc(N3CCOCC3)[nH]c2=O)cc1.
What is the InChIKey of 6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one?
The InChIKey is VSVRQYPDCAMKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-23-13-5-3-12(4-6-13)11-14-15(21)17-16(19-18-14)20-7-9-22-10-8-20/h3-6H,2,7-11H2,1H3,(H,17,19,21).
What are the key properties of 6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one?
6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one has a molecular weight of 316.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxyphenyl)methyl]-3-morpholin-4-yl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135561218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).