4-nitro-2-(5-phenyltriazol-1-yl)phenol

C14H10N4O3 — CID 10356396

IUPAC4-nitro-2-(5-phenyltriazol-1-yl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(-n2nncc2-c2ccccc2)c1
InChIInChI=1S/C14H10N4O3/c19-14-7-6-11(18(20)21)8-12(14)17-13(9-15-16-17)10-4-2-1-3-5-10/h1-9,19H
InChIKeyANUIERZLOCVFPT-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.55
Rot. Bonds3

About 4-nitro-2-(5-phenyltriazol-1-yl)phenol

4-nitro-2-(5-phenyltriazol-1-yl)phenol (PubChem CID 10356396) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-nitro-2-(5-phenyltriazol-1-yl)phenol.

Molecular Properties

Compound Name4-nitro-2-(5-phenyltriazol-1-yl)phenol
PubChem CID10356396
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name4-nitro-2-(5-phenyltriazol-1-yl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(-n2nncc2-c2ccccc2)c1
InChIInChI=1S/C14H10N4O3/c19-14-7-6-11(18(20)21)8-12(14)17-13(9-15-16-17)10-4-2-1-3-5-10/h1-9,19H
InChIKeyANUIERZLOCVFPT-UHFFFAOYSA-N
XLogP2.55
TPSA94.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3-nitrophenyl)triazol-4-yl]aniline
CID 21236444
2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione
CID 132965088
N-phenyl-1-[2-(5-phenyltriazol-1-yl)phenyl]methanimine oxide
CID 4829684
5-(4-nitrophenyl)-1-(3,4,5-triethylphenyl)triazole
CID 59430215
4-[2-(5-phenyltriazol-1-yl)ethyl]pyridine;2,4,6-trinitrophenol
CID 44887975
1-(2,4-dinitrophenyl)-5-phenyl-3-(4-phenylphenyl)pyrazole
CID 23583323
(5E)-3-(2-hydroxy-4-nitrophenyl)-5-[(2-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 26476138
1-(2,4-dinitrophenyl)-5-phenyl-3-(trifluoromethyl)pyrazole
CID 3857701
2-nitro-4-phenylphenol
CID 13447
2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine
CID 12602752
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
2-[(1,3-diphenylpyrazol-5-yl)iminomethyl]-4-nitrophenol
CID 4520619

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(5-phenyltriazol-1-yl)phenol?
The IUPAC name of 4-nitro-2-(5-phenyltriazol-1-yl)phenol (CID 10356396) is 4-nitro-2-(5-phenyltriazol-1-yl)phenol.
What is the SMILES notation for 4-nitro-2-(5-phenyltriazol-1-yl)phenol?
The canonical SMILES for 4-nitro-2-(5-phenyltriazol-1-yl)phenol is O=[N+]([O-])c1ccc(O)c(-n2nncc2-c2ccccc2)c1.
What is the InChIKey of 4-nitro-2-(5-phenyltriazol-1-yl)phenol?
The InChIKey is ANUIERZLOCVFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-14-7-6-11(18(20)21)8-12(14)17-13(9-15-16-17)10-4-2-1-3-5-10/h1-9,19H.
What are the key properties of 4-nitro-2-(5-phenyltriazol-1-yl)phenol?
4-nitro-2-(5-phenyltriazol-1-yl)phenol has a molecular weight of 282.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-(5-phenyltriazol-1-yl)phenol is sourced from PubChem (CID 10356396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).