2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline

C15H13FN4 — CID 63643478

IUPAC2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline
SMILESFc1ccccc1NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H13FN4/c16-12-8-4-5-9-13(12)17-10-14-15(19-20-18-14)11-6-2-1-3-7-11/h1-9,17H,10H2,(H,18,19,20)
InChIKeyUYRULWSKTZNVHM-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.22
Rot. Bonds4

About 2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline

2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline (PubChem CID 63643478) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline
PubChem CID63643478
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline
SMILESFc1ccccc1NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H13FN4/c16-12-8-4-5-9-13(12)17-10-14-15(19-20-18-14)11-6-2-1-3-7-11/h1-9,17H,10H2,(H,18,19,20)
InChIKeyUYRULWSKTZNVHM-UHFFFAOYSA-N
XLogP3.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline?
The IUPAC name of 2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline (CID 63643478) is 2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline is Fc1ccccc1NCc1n[nH]nc1-c1ccccc1.
What is the InChIKey of 2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline?
The InChIKey is UYRULWSKTZNVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c16-12-8-4-5-9-13(12)17-10-14-15(19-20-18-14)11-6-2-1-3-7-11/h1-9,17H,10H2,(H,18,19,20).
What are the key properties of 2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline?
2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline has a molecular weight of 268.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline is sourced from PubChem (CID 63643478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).