3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one

C17H24N4O5 — CID 110187528

IUPAC3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESCOc1cc(C2=NCC(=O)NN2)cc(OC)c1OCCN1CCOCC1
InChIInChI=1S/C17H24N4O5/c1-23-13-9-12(17-18-11-15(22)19-20-17)10-14(24-2)16(13)26-8-5-21-3-6-25-7-4-21/h9-10H,3-8,11H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyMMBDFNZVTJSDHP-UHFFFAOYSA-N
MW364.40 g/mol
LogP-0.20
Rot. Bonds7

About 3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one

3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one (PubChem CID 110187528) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
PubChem CID110187528
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESCOc1cc(C2=NCC(=O)NN2)cc(OC)c1OCCN1CCOCC1
InChIInChI=1S/C17H24N4O5/c1-23-13-9-12(17-18-11-15(22)19-20-17)10-14(24-2)16(13)26-8-5-21-3-6-25-7-4-21/h9-10H,3-8,11H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyMMBDFNZVTJSDHP-UHFFFAOYSA-N
XLogP-0.20
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one with MolForge

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Related Compounds

methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43516741
4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine
CID 10161321
4-[2-[4-(6,8-dimethoxyisoquinolin-3-yl)-2,6-dimethylphenoxy]ethyl]morpholine
CID 24957862
1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine
CID 104664509
4-[1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687214
1-[(E)-2-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]sulfonyl-2,3-dihydropyridin-6-one
CID 56849277
3-bromo-5-methoxy-4-(2-morpholin-4-ylethoxy)benzenecarbothioamide
CID 20985116
1-cyclopentyl-3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-7-imino-6-methylpyrimido[5,4-e][1,2,4]triazin-5-one
CID 142926918
5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
CID 154631494
N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 29087589
4-[2-(2,3-dimethoxy-6-propan-2-ylphenoxy)ethyl]morpholine
CID 20871911

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
The IUPAC name of 3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one (CID 110187528) is 3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one.
What is the SMILES notation for 3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
The canonical SMILES for 3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one is COc1cc(C2=NCC(=O)NN2)cc(OC)c1OCCN1CCOCC1.
What is the InChIKey of 3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
The InChIKey is MMBDFNZVTJSDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-23-13-9-12(17-18-11-15(22)19-20-17)10-14(24-2)16(13)26-8-5-21-3-6-25-7-4-21/h9-10H,3-8,11H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of 3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one has a molecular weight of 364.40 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 110187528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).