2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol

C17H14N10O2 — CID 136691622

About 2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol

2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol (PubChem CID 136691622) has the molecular formula C17H14N10O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol.

Molecular Properties

• Compound Name: 2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol
• PubChem CID: 136691622
• Molecular Formula: C17H14N10O2
• Molecular Weight: 390.37 g/mol
• Exact Mass: 390.13
• IUPAC Name: 2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol
• SMILES: Nn1cnnc1NN=Cc1cc(/N=N/c2nonc2-c2ccccc2)ccc1O
• InChI: InChI=1S/C17H14N10O2/c18-27-10-20-24-17(27)23-19-9-12-8-13(6-7-14(12)28)21-22-16-15(25-29-26-16)11-4-2-1-3-5-11/h1-10,28H,18H2,(H,23,24)/b19-9?,22-21+
• InChIKey: GVTFQARGQBUOGG-UKVQIDRWSA-N
• XLogP: 2.61
• TPSA: 164.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.37
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol?

The IUPAC name of 2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol (CID 136691622) is 2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol.

What is the SMILES notation for 2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol?

The canonical SMILES for 2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol is Nn1cnnc1NN=Cc1cc(/N=N/c2nonc2-c2ccccc2)ccc1O.

What is the InChIKey of 2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol?

The InChIKey is GVTFQARGQBUOGG-UKVQIDRWSA-N. The full InChI is InChI=1S/C17H14N10O2/c18-27-10-20-24-17(27)23-19-9-12-8-13(6-7-14(12)28)21-22-16-15(25-29-26-16)11-4-2-1-3-5-11/h1-10,28H,18H2,(H,23,24)/b19-9?,22-21+.

What are the key properties of 2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol?

2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol has a molecular weight of 390.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol is sourced from PubChem (CID 136691622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).