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

C16H14N4 — CID 576074

IUPAC3,6-bis(4-methylphenyl)-1,2,4,5-tetrazine
SMILESCc1ccc(-c2nnc(-c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C16H14N4/c1-11-3-7-13(8-4-11)15-17-19-16(20-18-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyXFRAZGWQOHTYEX-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.22
Rot. Bonds2

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

3,6-bis(4-methylphenyl)-1,2,4,5-tetrazine (PubChem CID 576074) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 3,6-bis(4-methylphenyl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis(4-methylphenyl)-1,2,4,5-tetrazine
PubChem CID576074
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name3,6-bis(4-methylphenyl)-1,2,4,5-tetrazine
SMILESCc1ccc(-c2nnc(-c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C16H14N4/c1-11-3-7-13(8-4-11)15-17-19-16(20-18-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyXFRAZGWQOHTYEX-UHFFFAOYSA-N
XLogP3.22
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-methylphenyl)-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis(4-methylphenyl)-1,2,4,5-tetrazine (CID 576074) is 3,6-bis(4-methylphenyl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis(4-methylphenyl)-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis(4-methylphenyl)-1,2,4,5-tetrazine is Cc1ccc(-c2nnc(-c3ccc(C)cc3)nn2)cc1.
What is the InChIKey of 3,6-bis(4-methylphenyl)-1,2,4,5-tetrazine?
The InChIKey is XFRAZGWQOHTYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-11-3-7-13(8-4-11)15-17-19-16(20-18-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3.
What are the key properties of 3,6-bis(4-methylphenyl)-1,2,4,5-tetrazine?
3,6-bis(4-methylphenyl)-1,2,4,5-tetrazine has a molecular weight of 262.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-methylphenyl)-1,2,4,5-tetrazine is sourced from PubChem (CID 576074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).