5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one

C12H12N4O2 — CID 137266505

IUPAC5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one
SMILESC=C1N=NC(=O)N/C1=N\CCc1ccc(O)cc1
InChIInChI=1S/C12H12N4O2/c1-8-11(14-12(18)16-15-8)13-7-6-9-2-4-10(17)5-3-9/h2-5,17H,1,6-7H2,(H,13,14,18)
InChIKeyMIXTULFZQAKWRT-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.02
Rot. Bonds3

About 5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one

5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one (PubChem CID 137266505) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one
PubChem CID137266505
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one
SMILESC=C1N=NC(=O)N/C1=N\CCc1ccc(O)cc1
InChIInChI=1S/C12H12N4O2/c1-8-11(14-12(18)16-15-8)13-7-6-9-2-4-10(17)5-3-9/h2-5,17H,1,6-7H2,(H,13,14,18)
InChIKeyMIXTULFZQAKWRT-UHFFFAOYSA-N
XLogP2.02
TPSA86.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one?
The IUPAC name of 5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one (CID 137266505) is 5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one.
What is the SMILES notation for 5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one?
The canonical SMILES for 5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one is C=C1N=NC(=O)N/C1=N\CCc1ccc(O)cc1.
What is the InChIKey of 5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one?
The InChIKey is MIXTULFZQAKWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-11(14-12(18)16-15-8)13-7-6-9-2-4-10(17)5-3-9/h2-5,17H,1,6-7H2,(H,13,14,18).
What are the key properties of 5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one?
5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one has a molecular weight of 244.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxyphenyl)ethylimino]-6-methylidene-1,2,4-triazin-3-one is sourced from PubChem (CID 137266505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).