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

C14H10N4 — CID 23263

IUPAC3,6-diphenyl-1,2,4,5-tetrazine
SMILESc1ccc(-c2nnc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C14H10N4/c1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h1-10H
InChIKeyXAUWSIIGUUMHQQ-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.60
Rot. Bonds2

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

3,6-diphenyl-1,2,4,5-tetrazine (PubChem CID 23263) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3,6-diphenyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-diphenyl-1,2,4,5-tetrazine
PubChem CID23263
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name3,6-diphenyl-1,2,4,5-tetrazine
SMILESc1ccc(-c2nnc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C14H10N4/c1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h1-10H
InChIKeyXAUWSIIGUUMHQQ-UHFFFAOYSA-N
XLogP2.60
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-diphenyl-1,2,4,5-tetrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-1,2,4,5-tetrazine?
The IUPAC name of 3,6-diphenyl-1,2,4,5-tetrazine (CID 23263) is 3,6-diphenyl-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-diphenyl-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-diphenyl-1,2,4,5-tetrazine is c1ccc(-c2nnc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 3,6-diphenyl-1,2,4,5-tetrazine?
The InChIKey is XAUWSIIGUUMHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 3,6-diphenyl-1,2,4,5-tetrazine?
3,6-diphenyl-1,2,4,5-tetrazine has a molecular weight of 234.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-1,2,4,5-tetrazine is sourced from PubChem (CID 23263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).