3-hydroxyphenanthro[9,10-d]triazole

C14H9N3O — CID 7832260

IUPAC3-hydroxyphenanthro[9,10-d]triazole
SMILESOn1nnc2c3ccccc3c3ccccc3c21
InChIInChI=1S/C14H9N3O/c18-17-14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13(14)15-16-17/h1-8,18H
InChIKeyIHZPELKKLUAFQF-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.97
Rot. Bonds

About 3-hydroxyphenanthro[9,10-d]triazole

3-hydroxyphenanthro[9,10-d]triazole (PubChem CID 7832260) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-hydroxyphenanthro[9,10-d]triazole.

Molecular Properties

Compound Name3-hydroxyphenanthro[9,10-d]triazole
PubChem CID7832260
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name3-hydroxyphenanthro[9,10-d]triazole
SMILESOn1nnc2c3ccccc3c3ccccc3c21
InChIInChI=1S/C14H9N3O/c18-17-14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13(14)15-16-17/h1-8,18H
InChIKeyIHZPELKKLUAFQF-UHFFFAOYSA-N
XLogP2.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyphenanthro[9,10-d]triazole?
The IUPAC name of 3-hydroxyphenanthro[9,10-d]triazole (CID 7832260) is 3-hydroxyphenanthro[9,10-d]triazole.
What is the SMILES notation for 3-hydroxyphenanthro[9,10-d]triazole?
The canonical SMILES for 3-hydroxyphenanthro[9,10-d]triazole is On1nnc2c3ccccc3c3ccccc3c21.
What is the InChIKey of 3-hydroxyphenanthro[9,10-d]triazole?
The InChIKey is IHZPELKKLUAFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c18-17-14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13(14)15-16-17/h1-8,18H.
What are the key properties of 3-hydroxyphenanthro[9,10-d]triazole?
3-hydroxyphenanthro[9,10-d]triazole has a molecular weight of 235.25 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyphenanthro[9,10-d]triazole is sourced from PubChem (CID 7832260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).