3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine

C14H11FN4 — CID 129203874

IUPAC3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine
SMILESFc1ccccc1C1=NNC(c2ccccc2)=NN1
InChIInChI=1S/C14H11FN4/c15-12-9-5-4-8-11(12)14-18-16-13(17-19-14)10-6-2-1-3-7-10/h1-9H,(H,16,17)(H,18,19)
InChIKeyFCZYHQNUJUYBFJ-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.04
Rot. Bonds2

About 3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine

3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine (PubChem CID 129203874) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine
PubChem CID129203874
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC Name3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine
SMILESFc1ccccc1C1=NNC(c2ccccc2)=NN1
InChIInChI=1S/C14H11FN4/c15-12-9-5-4-8-11(12)14-18-16-13(17-19-14)10-6-2-1-3-7-10/h1-9H,(H,16,17)(H,18,19)
InChIKeyFCZYHQNUJUYBFJ-UHFFFAOYSA-N
XLogP2.04
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine?
The IUPAC name of 3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine (CID 129203874) is 3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine?
The canonical SMILES for 3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine is Fc1ccccc1C1=NNC(c2ccccc2)=NN1.
What is the InChIKey of 3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine?
The InChIKey is FCZYHQNUJUYBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4/c15-12-9-5-4-8-11(12)14-18-16-13(17-19-14)10-6-2-1-3-7-10/h1-9H,(H,16,17)(H,18,19).
What are the key properties of 3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine?
3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine has a molecular weight of 254.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine is sourced from PubChem (CID 129203874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).