3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

C₁₄H₁₁N₅O₂ — CID 135412112

About 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135412112) has the molecular formula C₁₄H₁₁N₅O₂ and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

• Compound Name: 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
• PubChem CID: 135412112
• Molecular Formula: C₁₄H₁₁N₅O₂
• Molecular Weight: 281.28 g/mol
• Exact Mass: 281.09
• IUPAC Name: 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
• SMILES: O=c1cnnc(N/N=C/c2c(O)ccc3ccccc23)[nH]1
• InChI: InChI=1S/C14H11N5O2/c20-12-6-5-9-3-1-2-4-10(9)11(12)7-15-18-14-17-13(21)8-16-19-14/h1-8,20H,(H2,17,18,19,21)/b15-7+
• InChIKey: AEWPVFDJIWNVFX-VIZOYTHASA-N
• XLogP: 1.47
• TPSA: 103.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.28
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?

The IUPAC name of 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135412112) is 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

What is the SMILES notation for 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?

The canonical SMILES for 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is O=c1cnnc(N/N=C/c2c(O)ccc3ccccc23)[nH]1.

What is the InChIKey of 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?

The InChIKey is AEWPVFDJIWNVFX-VIZOYTHASA-N. The full InChI is InChI=1S/C14H11N5O2/c20-12-6-5-9-3-1-2-4-10(9)11(12)7-15-18-14-17-13(21)8-16-19-14/h1-8,20H,(H2,17,18,19,21)/b15-7+.

What are the key properties of 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?

3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 281.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135412112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135412112 — identifiers, structure, computed properties (public domain)

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