1-boryl-4-((4-(trifluoromethyl)phenyl)diazenyl)-1h-1,2,3-triazole

C9H5BF3N5 — CID 175647274

IUPAC—
SMILES[B]n1cc(/N=N/c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C9H5BF3N5/c10-18-5-8(16-17-18)15-14-7-3-1-6(2-4-7)9(11,12)13/h1-5H/b15-14+
InChIKeyNNFSPUNOQAVMQG-CCEZHUSRSA-N
MW250.98 g/mol
LogP2.64
Rot. Bonds2

About 1-boryl-4-((4-(trifluoromethyl)phenyl)diazenyl)-1h-1,2,3-triazole

1-boryl-4-((4-(trifluoromethyl)phenyl)diazenyl)-1h-1,2,3-triazole (PubChem CID 175647274) has the molecular formula C9H5BF3N5 and a molecular weight of 250.98 g/mol.

Molecular Properties

Compound Name1-boryl-4-((4-(trifluoromethyl)phenyl)diazenyl)-1h-1,2,3-triazole
PubChem CID175647274
Molecular FormulaC9H5BF3N5
Molecular Weight250.98 g/mol
Exact Mass251.06
IUPAC Name—
SMILES[B]n1cc(/N=N/c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C9H5BF3N5/c10-18-5-8(16-17-18)15-14-7-3-1-6(2-4-7)9(11,12)13/h1-5H/b15-14+
InChIKeyNNFSPUNOQAVMQG-CCEZHUSRSA-N
XLogP2.64
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.98
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 125475798
4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde
CID 129101740
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788
(4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 71324632
(3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 86246481
N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline
CID 134216743
CID 154390518
CID 154390518
[4-(5-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 134235887
1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine
CID 174359936
12-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenoxy]dodecane-1-thiol
CID 101110834
2-phenyl-4-[[4-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazol-3-one
CID 135790031
trimethyl-[methyl-[4-(trifluoromethyl)phenyl]-trimethylsilyloxysilyl]oxysilane
CID 102084462

Frequently Asked Questions

What is the IUPAC name of 1-boryl-4-((4-(trifluoromethyl)phenyl)diazenyl)-1h-1,2,3-triazole?
The IUPAC name of 1-boryl-4-((4-(trifluoromethyl)phenyl)diazenyl)-1h-1,2,3-triazole (CID 175647274) is not available.
What is the SMILES notation for 1-boryl-4-((4-(trifluoromethyl)phenyl)diazenyl)-1h-1,2,3-triazole?
The canonical SMILES for 1-boryl-4-((4-(trifluoromethyl)phenyl)diazenyl)-1h-1,2,3-triazole is [B]n1cc(/N=N/c2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of 1-boryl-4-((4-(trifluoromethyl)phenyl)diazenyl)-1h-1,2,3-triazole?
The InChIKey is NNFSPUNOQAVMQG-CCEZHUSRSA-N. The full InChI is InChI=1S/C9H5BF3N5/c10-18-5-8(16-17-18)15-14-7-3-1-6(2-4-7)9(11,12)13/h1-5H/b15-14+.
What are the key properties of 1-boryl-4-((4-(trifluoromethyl)phenyl)diazenyl)-1h-1,2,3-triazole?
1-boryl-4-((4-(trifluoromethyl)phenyl)diazenyl)-1h-1,2,3-triazole has a molecular weight of 250.98 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-boryl-4-((4-(trifluoromethyl)phenyl)diazenyl)-1h-1,2,3-triazole is sourced from PubChem (CID 175647274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).