5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one

C12H13N5O2 — CID 135532166

IUPAC5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILESC/C(=N\Nc1nc(=O)[nH]nc1C)c1ccccc1O
InChIInChI=1S/C12H13N5O2/c1-7(9-5-3-4-6-10(9)18)14-16-11-8(2)15-17-12(19)13-11/h3-6,18H,1-2H3,(H2,13,16,17,19)/b14-7+
InChIKeyIELYKCNZHFDMFM-VGOFMYFVSA-N
MW259.27 g/mol
LogP1.02
Rot. Bonds3

About 5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one

5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 135532166) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID135532166
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILESC/C(=N\Nc1nc(=O)[nH]nc1C)c1ccccc1O
InChIInChI=1S/C12H13N5O2/c1-7(9-5-3-4-6-10(9)18)14-16-11-8(2)15-17-12(19)13-11/h3-6,18H,1-2H3,(H2,13,16,17,19)/b14-7+
InChIKeyIELYKCNZHFDMFM-VGOFMYFVSA-N
XLogP1.02
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one (CID 135532166) is 5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is C/C(=N\Nc1nc(=O)[nH]nc1C)c1ccccc1O.
What is the InChIKey of 5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is IELYKCNZHFDMFM-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7(9-5-3-4-6-10(9)18)14-16-11-8(2)15-17-12(19)13-11/h3-6,18H,1-2H3,(H2,13,16,17,19)/b14-7+.
What are the key properties of 5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 259.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 135532166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).