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

C14H11N5O2 — CID 135412112

IUPAC3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESO=c1cnnc(N/N=C/c2c(O)ccc3ccccc23)[nH]1
InChIInChI=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+
InChIKeyAEWPVFDJIWNVFX-VIZOYTHASA-N
MW281.28 g/mol
LogP1.47
Rot. Bonds3

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 Name3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135412112
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESO=c1cnnc(N/N=C/c2c(O)ccc3ccccc23)[nH]1
InChIInChI=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+
InChIKeyAEWPVFDJIWNVFX-VIZOYTHASA-N
XLogP1.47
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.47
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 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).