3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine

C17H18FN3 — CID 13018840

IUPAC3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine
SMILESFc1ccc(CC(C2=NCCNN2)c2ccccc2)cc1
InChIInChI=1S/C17H18FN3/c18-15-8-6-13(7-9-15)12-16(14-4-2-1-3-5-14)17-19-10-11-20-21-17/h1-9,16,20H,10-12H2,(H,19,21)
InChIKeyGZVJJNQRXWCUEF-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.66
Rot. Bonds4

About 3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine

3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine (PubChem CID 13018840) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine
PubChem CID13018840
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine
SMILESFc1ccc(CC(C2=NCCNN2)c2ccccc2)cc1
InChIInChI=1S/C17H18FN3/c18-15-8-6-13(7-9-15)12-16(14-4-2-1-3-5-14)17-19-10-11-20-21-17/h1-9,16,20H,10-12H2,(H,19,21)
InChIKeyGZVJJNQRXWCUEF-UHFFFAOYSA-N
XLogP2.66
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine?
The IUPAC name of 3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine (CID 13018840) is 3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine is Fc1ccc(CC(C2=NCCNN2)c2ccccc2)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine?
The InChIKey is GZVJJNQRXWCUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c18-15-8-6-13(7-9-15)12-16(14-4-2-1-3-5-14)17-19-10-11-20-21-17/h1-9,16,20H,10-12H2,(H,19,21).
What are the key properties of 3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine?
3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine has a molecular weight of 283.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1-phenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine is sourced from PubChem (CID 13018840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).