3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one

C9H8N6O — CID 135411583

IUPAC3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESO=c1cnnc(N/N=C/c2ccccn2)[nH]1
InChIInChI=1S/C9H8N6O/c16-8-6-12-15-9(13-8)14-11-5-7-3-1-2-4-10-7/h1-6H,(H2,13,14,15,16)/b11-5+
InChIKeyMWIFRGUKPXHEAT-VZUCSPMQSA-N
MW216.20 g/mol
LogP0.01
Rot. Bonds3

About 3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one

3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135411583) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135411583
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESO=c1cnnc(N/N=C/c2ccccn2)[nH]1
InChIInChI=1S/C9H8N6O/c16-8-6-12-15-9(13-8)14-11-5-7-3-1-2-4-10-7/h1-6H,(H2,13,14,15,16)/b11-5+
InChIKeyMWIFRGUKPXHEAT-VZUCSPMQSA-N
XLogP0.01
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.01
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135411583) is 3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is O=c1cnnc(N/N=C/c2ccccn2)[nH]1.
What is the InChIKey of 3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is MWIFRGUKPXHEAT-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H8N6O/c16-8-6-12-15-9(13-8)14-11-5-7-3-1-2-4-10-7/h1-6H,(H2,13,14,15,16)/b11-5+.
What are the key properties of 3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 216.20 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135411583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).