[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine

C15H12ClFN4 — CID 82197137

IUPAC[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine
SMILESNCc1nnn(-c2cccc(F)c2)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H12ClFN4/c16-11-4-1-3-10(7-11)15-14(9-18)19-20-21(15)13-6-2-5-12(17)8-13/h1-8H,9,18H2
InChIKeyGPDPIRBQMOJITF-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.19
Rot. Bonds3

About [5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine

[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine (PubChem CID 82197137) has the molecular formula C15H12ClFN4 and a molecular weight of 302.74 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine
PubChem CID82197137
Molecular FormulaC15H12ClFN4
Molecular Weight302.74 g/mol
Exact Mass302.07
IUPAC Name[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine
SMILESNCc1nnn(-c2cccc(F)c2)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H12ClFN4/c16-11-4-1-3-10(7-11)15-14(9-18)19-20-21(15)13-6-2-5-12(17)8-13/h1-8H,9,18H2
InChIKeyGPDPIRBQMOJITF-UHFFFAOYSA-N
XLogP3.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-chlorophenyl)-1-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94937736
1-(3-chlorophenyl)-5-(3-fluorophenyl)triazole-4-carbaldehyde
CID 82200370
[1-(3-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanamine
CID 94937660
[1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82200781
[1-(3-chloro-2-methylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
CID 94937203
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769387
[5-(3,4-difluorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198084
[1-(3-chlorophenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine
CID 94939947
[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207879
[1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
CID 82198604
2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol
CID 82210126
[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol
CID 82197077

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine (CID 82197137) is [5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine is NCc1nnn(-c2cccc(F)c2)c1-c1cccc(Cl)c1.
What is the InChIKey of [5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine?
The InChIKey is GPDPIRBQMOJITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4/c16-11-4-1-3-10(7-11)15-14(9-18)19-20-21(15)13-6-2-5-12(17)8-13/h1-8H,9,18H2.
What are the key properties of [5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine?
[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine has a molecular weight of 302.74 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82197137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).