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

C11H11FN4 — CID 169409359

IUPAC3-(3-fluoropropyl)-6-phenyl-1,2,4,5-tetrazine
SMILESFCCCc1nnc(-c2ccccc2)nn1
InChIInChI=1S/C11H11FN4/c12-8-4-7-10-13-15-11(16-14-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyLNSWTKGBBBAFFI-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.84
Rot. Bonds4

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

3-(3-fluoropropyl)-6-phenyl-1,2,4,5-tetrazine (PubChem CID 169409359) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-6-phenyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(3-fluoropropyl)-6-phenyl-1,2,4,5-tetrazine
PubChem CID169409359
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name3-(3-fluoropropyl)-6-phenyl-1,2,4,5-tetrazine
SMILESFCCCc1nnc(-c2ccccc2)nn1
InChIInChI=1S/C11H11FN4/c12-8-4-7-10-13-15-11(16-14-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyLNSWTKGBBBAFFI-UHFFFAOYSA-N
XLogP1.84
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)-6-phenyl-1,2,4,5-tetrazine?
The IUPAC name of 3-(3-fluoropropyl)-6-phenyl-1,2,4,5-tetrazine (CID 169409359) is 3-(3-fluoropropyl)-6-phenyl-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(3-fluoropropyl)-6-phenyl-1,2,4,5-tetrazine?
The canonical SMILES for 3-(3-fluoropropyl)-6-phenyl-1,2,4,5-tetrazine is FCCCc1nnc(-c2ccccc2)nn1.
What is the InChIKey of 3-(3-fluoropropyl)-6-phenyl-1,2,4,5-tetrazine?
The InChIKey is LNSWTKGBBBAFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c12-8-4-7-10-13-15-11(16-14-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of 3-(3-fluoropropyl)-6-phenyl-1,2,4,5-tetrazine?
3-(3-fluoropropyl)-6-phenyl-1,2,4,5-tetrazine has a molecular weight of 218.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-6-phenyl-1,2,4,5-tetrazine is sourced from PubChem (CID 169409359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).