(Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

C15H10BrFN4 — CID 9028276

IUPAC(Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESFc1cc(Br)ccc1/C=N\n1cnnc1-c1ccccc1
InChIInChI=1S/C15H10BrFN4/c16-13-7-6-12(14(17)8-13)9-19-21-10-18-20-15(21)11-4-2-1-3-5-11/h1-10H/b19-9-
InChIKeyKMGMXTKEFZPMBL-OCKHKDLRSA-N
MW345.18 g/mol
LogP3.73
Rot. Bonds3

About (Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

(Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 9028276) has the molecular formula C15H10BrFN4 and a molecular weight of 345.18 g/mol. Its IUPAC name is (Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
PubChem CID9028276
Molecular FormulaC15H10BrFN4
Molecular Weight345.18 g/mol
Exact Mass344.01
IUPAC Name(Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESFc1cc(Br)ccc1/C=N\n1cnnc1-c1ccccc1
InChIInChI=1S/C15H10BrFN4/c16-13-7-6-12(14(17)8-13)9-19-21-10-18-20-15(21)11-4-2-1-3-5-11/h1-10H/b19-9-
InChIKeyKMGMXTKEFZPMBL-OCKHKDLRSA-N
XLogP3.73
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(2-bromophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9027901
(Z)-1-(3,4-difluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028340
(Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9027661
(Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028599
(Z)-1-(10-chloroanthracen-9-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9027718
(Z)-1-(2-chloro-5-nitrophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028049
2,6-dimethoxy-4-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
CID 135771186
(Z)-1-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028217
2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
CID 135771183
(E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 135771176
1-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol
CID 135771174
N-[3-(4-tert-butylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine
CID 150566362

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (CID 9028276) is (Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is Fc1cc(Br)ccc1/C=N\n1cnnc1-c1ccccc1.
What is the InChIKey of (Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is KMGMXTKEFZPMBL-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H10BrFN4/c16-13-7-6-12(14(17)8-13)9-19-21-10-18-20-15(21)11-4-2-1-3-5-11/h1-10H/b19-9-.
What are the key properties of (Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
(Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 345.18 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 9028276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).