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

C18H25N5O3 — CID 135561239

IUPAC6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ylethylamino)-4H-1,2,4-triazin-5-one
SMILESCCOc1ccc(Cc2nnc(NCCN3CCOCC3)[nH]c2=O)cc1
InChIInChI=1S/C18H25N5O3/c1-2-26-15-5-3-14(4-6-15)13-16-17(24)20-18(22-21-16)19-7-8-23-9-11-25-12-10-23/h3-6H,2,7-13H2,1H3,(H2,19,20,22,24)
InChIKeyJZPUVERVMNUHBE-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.90
Rot. Bonds8

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

6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ylethylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135561239) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ylethylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ylethylamino)-4H-1,2,4-triazin-5-one
PubChem CID135561239
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ylethylamino)-4H-1,2,4-triazin-5-one
SMILESCCOc1ccc(Cc2nnc(NCCN3CCOCC3)[nH]c2=O)cc1
InChIInChI=1S/C18H25N5O3/c1-2-26-15-5-3-14(4-6-15)13-16-17(24)20-18(22-21-16)19-7-8-23-9-11-25-12-10-23/h3-6H,2,7-13H2,1H3,(H2,19,20,22,24)
InChIKeyJZPUVERVMNUHBE-UHFFFAOYSA-N
XLogP0.90
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46702858
6-(4-Methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46703014
6-(4-ethoxybenzyl)-3-morpholino-1,2,4-triazin-5(4H)-one
CID 135561218
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-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
2-[4-(2-methoxyethyl)piperazin-1-yl]-5,11-dihydro[1]benzoxepino[3,4-d]pyrimidin-4(3H)-one
CID 136217021
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-(2-morpholin-4-ylethylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ylethylamino)-4H-1,2,4-triazin-5-one (CID 135561239) is 6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ylethylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ylethylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ylethylamino)-4H-1,2,4-triazin-5-one is CCOc1ccc(Cc2nnc(NCCN3CCOCC3)[nH]c2=O)cc1.
What is the InChIKey of 6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ylethylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is JZPUVERVMNUHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-2-26-15-5-3-14(4-6-15)13-16-17(24)20-18(22-21-16)19-7-8-23-9-11-25-12-10-23/h3-6H,2,7-13H2,1H3,(H2,19,20,22,24).
What are the key properties of 6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ylethylamino)-4H-1,2,4-triazin-5-one?
6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ylethylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 359.43 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ylethylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135561239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).