(5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one

C19H17N5O3 — CID 137275675

IUPAC(5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one
SMILESC=C1N=NC(=O)N/C1=N/N=C/c1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C19H17N5O3/c1-13-18(21-19(25)24-22-13)23-20-11-15-9-6-10-16(26-2)17(15)27-12-14-7-4-3-5-8-14/h3-11H,1,12H2,2H3,(H,21,23,25)/b20-11+
InChIKeyKLOOIWIZWSPMCX-RGVLZGJSSA-N
MW363.38 g/mol
LogP3.70
Rot. Bonds6

About (5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one

(5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one (PubChem CID 137275675) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is (5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one.

Molecular Properties

Compound Name(5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one
PubChem CID137275675
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name(5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one
SMILESC=C1N=NC(=O)N/C1=N/N=C/c1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C19H17N5O3/c1-13-18(21-19(25)24-22-13)23-20-11-15-9-6-10-16(26-2)17(15)27-12-14-7-4-3-5-8-14/h3-11H,1,12H2,2H3,(H,21,23,25)/b20-11+
InChIKeyKLOOIWIZWSPMCX-RGVLZGJSSA-N
XLogP3.70
TPSA97.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(E)-(2-butoxy-3-methoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one
CID 137275682
(5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one
CID 137262582
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592742
2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576289
5-chloro-4-[(2Z)-2-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509757
5-[(2E)-2-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110510008
(3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 1224641
5-[2-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71967176
2-[2-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135510421
4-amino-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110514932
2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110339182

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one?
The IUPAC name of (5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one (CID 137275675) is (5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one.
What is the SMILES notation for (5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one?
The canonical SMILES for (5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one is C=C1N=NC(=O)N/C1=N/N=C/c1cccc(OC)c1OCc1ccccc1.
What is the InChIKey of (5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one?
The InChIKey is KLOOIWIZWSPMCX-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-13-18(21-19(25)24-22-13)23-20-11-15-9-6-10-16(26-2)17(15)27-12-14-7-4-3-5-8-14/h3-11H,1,12H2,2H3,(H,21,23,25)/b20-11+.
What are the key properties of (5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one?
(5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one has a molecular weight of 363.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one is sourced from PubChem (CID 137275675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).