6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one

C12H15N5O2 — CID 19350746

IUPAC6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
SMILESCCOCC1=NNC(=O)N(/N=C/c2cccnc2)C1
InChIInChI=1S/C12H15N5O2/c1-2-19-9-11-8-17(12(18)16-15-11)14-7-10-4-3-5-13-6-10/h3-7H,2,8-9H2,1H3,(H,16,18)/b14-7+
InChIKeyFKIHORVPVLOWED-VGOFMYFVSA-N
MW261.28 g/mol
LogP0.83
Rot. Bonds5

About 6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one

6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one (PubChem CID 19350746) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one.

Molecular Properties

Compound Name6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
PubChem CID19350746
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
SMILESCCOCC1=NNC(=O)N(/N=C/c2cccnc2)C1
InChIInChI=1S/C12H15N5O2/c1-2-19-9-11-8-17(12(18)16-15-11)14-7-10-4-3-5-13-6-10/h3-7H,2,8-9H2,1H3,(H,16,18)/b14-7+
InChIKeyFKIHORVPVLOWED-VGOFMYFVSA-N
XLogP0.83
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one?
The IUPAC name of 6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one (CID 19350746) is 6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one.
What is the SMILES notation for 6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one?
The canonical SMILES for 6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one is CCOCC1=NNC(=O)N(/N=C/c2cccnc2)C1.
What is the InChIKey of 6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one?
The InChIKey is FKIHORVPVLOWED-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-2-19-9-11-8-17(12(18)16-15-11)14-7-10-4-3-5-13-6-10/h3-7H,2,8-9H2,1H3,(H,16,18)/b14-7+.
What are the key properties of 6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one?
6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one has a molecular weight of 261.28 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one is sourced from PubChem (CID 19350746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).