3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride

C14H9Cl2FN4 — CID 174661750

IUPAC3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
SMILESClc1ccccc1-c1nnc(-c2ccccc2Cl)nn1.F
InChIInChI=1S/C14H8Cl2N4.FH/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16;/h1-8H;1H
InChIKeyYLWFULYRIHLXKB-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.06
Rot. Bonds2

About 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride

3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride (PubChem CID 174661750) has the molecular formula C14H9Cl2FN4 and a molecular weight of 323.16 g/mol. Its IUPAC name is 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride.

Molecular Properties

Compound Name3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
PubChem CID174661750
Molecular FormulaC14H9Cl2FN4
Molecular Weight323.16 g/mol
Exact Mass322.02
IUPAC Name3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
SMILESClc1ccccc1-c1nnc(-c2ccccc2Cl)nn1.F
InChIInChI=1S/C14H8Cl2N4.FH/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16;/h1-8H;1H
InChIKeyYLWFULYRIHLXKB-UHFFFAOYSA-N
XLogP4.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride?
The IUPAC name of 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride (CID 174661750) is 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride.
What is the SMILES notation for 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride?
The canonical SMILES for 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride is Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1.F.
What is the InChIKey of 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride?
The InChIKey is YLWFULYRIHLXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N4.FH/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16;/h1-8H;1H.
What are the key properties of 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride?
3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride has a molecular weight of 323.16 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride is sourced from PubChem (CID 174661750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).