1,3,4,6-tetraphenyl-1,2,4,5-tetrazine

C26H20N4 — CID 3091806

IUPAC1,3,4,6-tetraphenyl-1,2,4,5-tetrazine
SMILESc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C26H20N4/c1-5-13-21(14-6-1)25-27-30(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)28-29(25)23-17-9-3-10-18-23/h1-20H
InChIKeyUGHPWAQUZDYJGP-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.74
Rot. Bonds4

About 1,3,4,6-tetraphenyl-1,2,4,5-tetrazine

1,3,4,6-tetraphenyl-1,2,4,5-tetrazine (PubChem CID 3091806) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1,3,4,6-tetraphenyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name1,3,4,6-tetraphenyl-1,2,4,5-tetrazine
PubChem CID3091806
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name1,3,4,6-tetraphenyl-1,2,4,5-tetrazine
SMILESc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C26H20N4/c1-5-13-21(14-6-1)25-27-30(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)28-29(25)23-17-9-3-10-18-23/h1-20H
InChIKeyUGHPWAQUZDYJGP-UHFFFAOYSA-N
XLogP5.74
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetraphenyl-1,2,4,5-tetrazine?
The IUPAC name of 1,3,4,6-tetraphenyl-1,2,4,5-tetrazine (CID 3091806) is 1,3,4,6-tetraphenyl-1,2,4,5-tetrazine.
What is the SMILES notation for 1,3,4,6-tetraphenyl-1,2,4,5-tetrazine?
The canonical SMILES for 1,3,4,6-tetraphenyl-1,2,4,5-tetrazine is c1ccc(C2=NN(c3ccccc3)C(c3ccccc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 1,3,4,6-tetraphenyl-1,2,4,5-tetrazine?
The InChIKey is UGHPWAQUZDYJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c1-5-13-21(14-6-1)25-27-30(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)28-29(25)23-17-9-3-10-18-23/h1-20H.
What are the key properties of 1,3,4,6-tetraphenyl-1,2,4,5-tetrazine?
1,3,4,6-tetraphenyl-1,2,4,5-tetrazine has a molecular weight of 388.47 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetraphenyl-1,2,4,5-tetrazine is sourced from PubChem (CID 3091806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).