(2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol

C15H10F2N6O — CID 121293493

IUPAC(2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol
SMILES[N-]=[N+]=Nc1ccc(F)cc1C(O)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C15H10F2N6O/c16-9-1-4-11(5-2-9)23-8-14(20-22-23)15(24)12-7-10(17)3-6-13(12)19-21-18/h1-8,15,24H
InChIKeySBZYAHYEKNRKGM-UHFFFAOYSA-N
MW328.28 g/mol
LogP3.57
Rot. Bonds4

About (2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol

(2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol (PubChem CID 121293493) has the molecular formula C15H10F2N6O and a molecular weight of 328.28 g/mol. Its IUPAC name is (2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name(2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol
PubChem CID121293493
Molecular FormulaC15H10F2N6O
Molecular Weight328.28 g/mol
Exact Mass328.09
IUPAC Name(2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol
SMILES[N-]=[N+]=Nc1ccc(F)cc1C(O)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C15H10F2N6O/c16-9-1-4-11(5-2-9)23-8-14(20-22-23)15(24)12-7-10(17)3-6-13(12)19-21-18/h1-8,15,24H
InChIKeySBZYAHYEKNRKGM-UHFFFAOYSA-N
XLogP3.57
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol?
The IUPAC name of (2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol (CID 121293493) is (2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for (2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol?
The canonical SMILES for (2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol is [N-]=[N+]=Nc1ccc(F)cc1C(O)c1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of (2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol?
The InChIKey is SBZYAHYEKNRKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N6O/c16-9-1-4-11(5-2-9)23-8-14(20-22-23)15(24)12-7-10(17)3-6-13(12)19-21-18/h1-8,15,24H.
What are the key properties of (2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol?
(2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol has a molecular weight of 328.28 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azido-5-fluorophenyl)-[1-(4-fluorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 121293493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).