5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one

C14H19N3O5 — CID 110187196

IUPAC5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESCOCC1N=C(c2cc(OC)c(OC)c(OC)c2)NNC1=O
InChIInChI=1S/C14H19N3O5/c1-19-7-9-14(18)17-16-13(15-9)8-5-10(20-2)12(22-4)11(6-8)21-3/h5-6,9H,7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyGEBCVSGZGXWYML-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.11
Rot. Bonds6

About 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one

5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one (PubChem CID 110187196) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
PubChem CID110187196
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESCOCC1N=C(c2cc(OC)c(OC)c(OC)c2)NNC1=O
InChIInChI=1S/C14H19N3O5/c1-19-7-9-14(18)17-16-13(15-9)8-5-10(20-2)12(22-4)11(6-8)21-3/h5-6,9H,7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyGEBCVSGZGXWYML-UHFFFAOYSA-N
XLogP0.11
TPSA90.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one with MolForge

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Related Compounds

4-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3-oxazol-5-one
CID 102578079
2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole
CID 90820484
2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one
CID 82996110
3-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrazol-5-one
CID 22353179
3,4-bis(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 122205259
2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione
CID 10638196
3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 110187528
2-(3,4,5-trimethoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 95468133
5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-carbonitrile
CID 116879942
ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate
CID 22557861
3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,2,4-triazol-5-one
CID 78300787
methyl (4S,5S)-5-phenyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 15833692

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
The IUPAC name of 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one (CID 110187196) is 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one.
What is the SMILES notation for 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
The canonical SMILES for 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one is COCC1N=C(c2cc(OC)c(OC)c(OC)c2)NNC1=O.
What is the InChIKey of 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
The InChIKey is GEBCVSGZGXWYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-19-7-9-14(18)17-16-13(15-9)8-5-10(20-2)12(22-4)11(6-8)21-3/h5-6,9H,7H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one has a molecular weight of 309.32 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 110187196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).