3,6-diphenyl-2H-tetrazine

C14H12N4 — CID 23618652

IUPAC3,6-diphenyl-2H-tetrazine
SMILESC1=NN(c2ccccc2)NN=C1c1ccccc1
InChIInChI=1S/C14H12N4/c1-3-7-12(8-4-1)14-11-15-18(17-16-14)13-9-5-2-6-10-13/h1-11,17H
InChIKeyHFORENVYUKBNBY-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.40
Rot. Bonds2

About 3,6-diphenyl-2H-tetrazine

3,6-diphenyl-2H-tetrazine (PubChem CID 23618652) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3,6-diphenyl-2H-tetrazine.

Molecular Properties

Compound Name3,6-diphenyl-2H-tetrazine
PubChem CID23618652
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name3,6-diphenyl-2H-tetrazine
SMILESC1=NN(c2ccccc2)NN=C1c1ccccc1
InChIInChI=1S/C14H12N4/c1-3-7-12(8-4-1)14-11-15-18(17-16-14)13-9-5-2-6-10-13/h1-11,17H
InChIKeyHFORENVYUKBNBY-UHFFFAOYSA-N
XLogP2.40
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-2H-tetrazine?
The IUPAC name of 3,6-diphenyl-2H-tetrazine (CID 23618652) is 3,6-diphenyl-2H-tetrazine.
What is the SMILES notation for 3,6-diphenyl-2H-tetrazine?
The canonical SMILES for 3,6-diphenyl-2H-tetrazine is C1=NN(c2ccccc2)NN=C1c1ccccc1.
What is the InChIKey of 3,6-diphenyl-2H-tetrazine?
The InChIKey is HFORENVYUKBNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-3-7-12(8-4-1)14-11-15-18(17-16-14)13-9-5-2-6-10-13/h1-11,17H.
What are the key properties of 3,6-diphenyl-2H-tetrazine?
3,6-diphenyl-2H-tetrazine has a molecular weight of 236.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-2H-tetrazine is sourced from PubChem (CID 23618652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).