3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

C14H14FN7 — CID 134157679

IUPAC3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESFc1ccc(-c2nnc3nnc(N4CCCCC4)nn23)cc1
InChIInChI=1S/C14H14FN7/c15-11-6-4-10(5-7-11)12-16-17-13-18-19-14(20-22(12)13)21-8-2-1-3-9-21/h4-7H,1-3,8-9H2
InChIKeyPFICNUDVGMJYER-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.71
Rot. Bonds2

About 3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 134157679) has the molecular formula C14H14FN7 and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID134157679
Molecular FormulaC14H14FN7
Molecular Weight299.31 g/mol
Exact Mass299.13
IUPAC Name3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESFc1ccc(-c2nnc3nnc(N4CCCCC4)nn23)cc1
InChIInChI=1S/C14H14FN7/c15-11-6-4-10(5-7-11)12-16-17-13-18-19-14(20-22(12)13)21-8-2-1-3-9-21/h4-7H,1-3,8-9H2
InChIKeyPFICNUDVGMJYER-UHFFFAOYSA-N
XLogP1.71
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 134157679) is 3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is Fc1ccc(-c2nnc3nnc(N4CCCCC4)nn23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is PFICNUDVGMJYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN7/c15-11-6-4-10(5-7-11)12-16-17-13-18-19-14(20-22(12)13)21-8-2-1-3-9-21/h4-7H,1-3,8-9H2.
What are the key properties of 3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 299.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 134157679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).