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

C14H12N4 — CID 26707

IUPAC3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine
SMILESc1ccc(C2=NNC(c3ccccc3)=NN2)cc1
InChIInChI=1S/C14H12N4/c1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h1-10H,(H,15,16)(H,17,18)
InChIKeyVEYRTZVLYXCVCX-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.90
Rot. Bonds2

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

3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine (PubChem CID 26707) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine
PubChem CID26707
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine
SMILESc1ccc(C2=NNC(c3ccccc3)=NN2)cc1
InChIInChI=1S/C14H12N4/c1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h1-10H,(H,15,16)(H,17,18)
InChIKeyVEYRTZVLYXCVCX-UHFFFAOYSA-N
XLogP1.90
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Stilbamidine
CID 5351747
3,6-Bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 12912717
1,1''-Biphenyl-3,3''-dicarboximidamide
CID 10082914
4,4'-(Ethene-1,2-diyl)di(benzene-1-carboximidamide)
CID 8811
N-benzylbenzamidine
CID 200369
3-Benzylbenzene-1-carboximidamide
CID 12254250
4,4'-Diamidinostilbene dihydrochloride
CID 54601068
3,6-Dibenzyl-1,4-dihydro-1,2,4,5-tetrazine
CID 725764
1,2,4,5-Tetrazine, 1,4-dihydro-1-methyl-3,6-diphenyl-
CID 215295
Benzenecarboximidamide, 4,4'-methylenebis-
CID 93347
Benzamidrazone hydrochloride
CID 12273647
N'-amino-N-(benzylideneamino)benzenecarboximidamide
CID 270767

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine?
The IUPAC name of 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine (CID 26707) is 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine is c1ccc(C2=NNC(c3ccccc3)=NN2)cc1.
What is the InChIKey of 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine?
The InChIKey is VEYRTZVLYXCVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h1-10H,(H,15,16)(H,17,18).
What are the key properties of 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine?
3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine has a molecular weight of 236.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine is sourced from PubChem (CID 26707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).