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

C14H8Cl2N4 — CID 13085043

IUPAC3,6-bis(3-chlorophenyl)-1,2,4,5-tetrazine
SMILESClc1cccc(-c2nnc(-c3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C14H8Cl2N4/c15-11-5-1-3-9(7-11)13-17-19-14(20-18-13)10-4-2-6-12(16)8-10/h1-8H
InChIKeyZZWFAEQAOGSNGC-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.91
Rot. Bonds2

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

3,6-bis(3-chlorophenyl)-1,2,4,5-tetrazine (PubChem CID 13085043) has the molecular formula C14H8Cl2N4 and a molecular weight of 303.15 g/mol. Its IUPAC name is 3,6-bis(3-chlorophenyl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis(3-chlorophenyl)-1,2,4,5-tetrazine
PubChem CID13085043
Molecular FormulaC14H8Cl2N4
Molecular Weight303.15 g/mol
Exact Mass302.01
IUPAC Name3,6-bis(3-chlorophenyl)-1,2,4,5-tetrazine
SMILESClc1cccc(-c2nnc(-c3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C14H8Cl2N4/c15-11-5-1-3-9(7-11)13-17-19-14(20-18-13)10-4-2-6-12(16)8-10/h1-8H
InChIKeyZZWFAEQAOGSNGC-UHFFFAOYSA-N
XLogP3.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3-chlorophenyl)-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis(3-chlorophenyl)-1,2,4,5-tetrazine (CID 13085043) is 3,6-bis(3-chlorophenyl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis(3-chlorophenyl)-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis(3-chlorophenyl)-1,2,4,5-tetrazine is Clc1cccc(-c2nnc(-c3cccc(Cl)c3)nn2)c1.
What is the InChIKey of 3,6-bis(3-chlorophenyl)-1,2,4,5-tetrazine?
The InChIKey is ZZWFAEQAOGSNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N4/c15-11-5-1-3-9(7-11)13-17-19-14(20-18-13)10-4-2-6-12(16)8-10/h1-8H.
What are the key properties of 3,6-bis(3-chlorophenyl)-1,2,4,5-tetrazine?
3,6-bis(3-chlorophenyl)-1,2,4,5-tetrazine has a molecular weight of 303.15 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3-chlorophenyl)-1,2,4,5-tetrazine is sourced from PubChem (CID 13085043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).