[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine

C15H12F2N4 — CID 82196565

IUPAC[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine
SMILESNCc1nnn(-c2ccccc2F)c1-c1ccccc1F
InChIInChI=1S/C15H12F2N4/c16-11-6-2-1-5-10(11)15-13(9-18)19-20-21(15)14-8-4-3-7-12(14)17/h1-8H,9,18H2
InChIKeyPGFWJGPOEYQZFN-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.67
Rot. Bonds3

About [1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine

[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine (PubChem CID 82196565) has the molecular formula C15H12F2N4 and a molecular weight of 286.29 g/mol. Its IUPAC name is [1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine
PubChem CID82196565
Molecular FormulaC15H12F2N4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine
SMILESNCc1nnn(-c2ccccc2F)c1-c1ccccc1F
InChIInChI=1S/C15H12F2N4/c16-11-6-2-1-5-10(11)15-13(9-18)19-20-21(15)14-8-4-3-7-12(14)17/h1-8H,9,18H2
InChIKeyPGFWJGPOEYQZFN-UHFFFAOYSA-N
XLogP2.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine?
The IUPAC name of [1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine (CID 82196565) is [1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine?
The canonical SMILES for [1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine is NCc1nnn(-c2ccccc2F)c1-c1ccccc1F.
What is the InChIKey of [1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine?
The InChIKey is PGFWJGPOEYQZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4/c16-11-6-2-1-5-10(11)15-13(9-18)19-20-21(15)14-8-4-3-7-12(14)17/h1-8H,9,18H2.
What are the key properties of [1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine?
[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine has a molecular weight of 286.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82196565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).