5-ethylimino-6-methylidene-1,2,4-triazin-3-one

C6H8N4O — CID 137268634

IUPAC5-ethylimino-6-methylidene-1,2,4-triazin-3-one
SMILESC=C1N=NC(=O)N/C1=N\CC
InChIInChI=1S/C6H8N4O/c1-3-7-5-4(2)9-10-6(11)8-5/h2-3H2,1H3,(H,7,8,11)
InChIKeyDBGDOGYLOLUINF-UHFFFAOYSA-N
MW152.16 g/mol
LogP1.09
Rot. Bonds1

About 5-ethylimino-6-methylidene-1,2,4-triazin-3-one

5-ethylimino-6-methylidene-1,2,4-triazin-3-one (PubChem CID 137268634) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 5-ethylimino-6-methylidene-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-ethylimino-6-methylidene-1,2,4-triazin-3-one
PubChem CID137268634
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name5-ethylimino-6-methylidene-1,2,4-triazin-3-one
SMILESC=C1N=NC(=O)N/C1=N\CC
InChIInChI=1S/C6H8N4O/c1-3-7-5-4(2)9-10-6(11)8-5/h2-3H2,1H3,(H,7,8,11)
InChIKeyDBGDOGYLOLUINF-UHFFFAOYSA-N
XLogP1.09
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-ethylimino-6-methylidene-1,2,4-triazin-3-one?
The IUPAC name of 5-ethylimino-6-methylidene-1,2,4-triazin-3-one (CID 137268634) is 5-ethylimino-6-methylidene-1,2,4-triazin-3-one.
What is the SMILES notation for 5-ethylimino-6-methylidene-1,2,4-triazin-3-one?
The canonical SMILES for 5-ethylimino-6-methylidene-1,2,4-triazin-3-one is C=C1N=NC(=O)N/C1=N\CC.
What is the InChIKey of 5-ethylimino-6-methylidene-1,2,4-triazin-3-one?
The InChIKey is DBGDOGYLOLUINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-3-7-5-4(2)9-10-6(11)8-5/h2-3H2,1H3,(H,7,8,11).
What are the key properties of 5-ethylimino-6-methylidene-1,2,4-triazin-3-one?
5-ethylimino-6-methylidene-1,2,4-triazin-3-one has a molecular weight of 152.16 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylimino-6-methylidene-1,2,4-triazin-3-one is sourced from PubChem (CID 137268634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).