1,2,4,5-Tetrazin-1(2H)-yl, 3,4-dihydro-6-(4-methoxyphenyl)-2,4-diphenyl-

C21H19N4O — CID 3082048

IUPAC—
SMILESCOc1ccc(C2=NN(c3ccccc3)CN(c3ccccc3)[N]2)cc1
InChIInChI=1S/C21H19N4O/c1-26-20-14-12-17(13-15-20)21-22-24(18-8-4-2-5-9-18)16-25(23-21)19-10-6-3-7-11-19/h2-15H,16H2,1H3
InChIKeyJOQFLWQTHYMGMV-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.86
Rot. Bonds4

About 1,2,4,5-Tetrazin-1(2H)-yl, 3,4-dihydro-6-(4-methoxyphenyl)-2,4-diphenyl-

1,2,4,5-Tetrazin-1(2H)-yl, 3,4-dihydro-6-(4-methoxyphenyl)-2,4-diphenyl- (PubChem CID 3082048) has the molecular formula C21H19N4O and a molecular weight of 343.41 g/mol.

Molecular Properties

Compound Name1,2,4,5-Tetrazin-1(2H)-yl, 3,4-dihydro-6-(4-methoxyphenyl)-2,4-diphenyl-
PubChem CID3082048
Molecular FormulaC21H19N4O
Molecular Weight343.41 g/mol
Exact Mass343.16
IUPAC Name—
SMILESCOc1ccc(C2=NN(c3ccccc3)CN(c3ccccc3)[N]2)cc1
InChIInChI=1S/C21H19N4O/c1-26-20-14-12-17(13-15-20)21-22-24(18-8-4-2-5-9-18)16-25(23-21)19-10-6-3-7-11-19/h2-15H,16H2,1H3
InChIKeyJOQFLWQTHYMGMV-UHFFFAOYSA-N
XLogP3.86
TPSA42.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-Tetrazin-1(2H)-yl, 3,4-dihydro-6-(4-methoxyphenyl)-2,4-diphenyl-?
The IUPAC name of 1,2,4,5-Tetrazin-1(2H)-yl, 3,4-dihydro-6-(4-methoxyphenyl)-2,4-diphenyl- (CID 3082048) is not available.
What is the SMILES notation for 1,2,4,5-Tetrazin-1(2H)-yl, 3,4-dihydro-6-(4-methoxyphenyl)-2,4-diphenyl-?
The canonical SMILES for 1,2,4,5-Tetrazin-1(2H)-yl, 3,4-dihydro-6-(4-methoxyphenyl)-2,4-diphenyl- is COc1ccc(C2=NN(c3ccccc3)CN(c3ccccc3)[N]2)cc1.
What is the InChIKey of 1,2,4,5-Tetrazin-1(2H)-yl, 3,4-dihydro-6-(4-methoxyphenyl)-2,4-diphenyl-?
The InChIKey is JOQFLWQTHYMGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N4O/c1-26-20-14-12-17(13-15-20)21-22-24(18-8-4-2-5-9-18)16-25(23-21)19-10-6-3-7-11-19/h2-15H,16H2,1H3.
What are the key properties of 1,2,4,5-Tetrazin-1(2H)-yl, 3,4-dihydro-6-(4-methoxyphenyl)-2,4-diphenyl-?
1,2,4,5-Tetrazin-1(2H)-yl, 3,4-dihydro-6-(4-methoxyphenyl)-2,4-diphenyl- has a molecular weight of 343.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-Tetrazin-1(2H)-yl, 3,4-dihydro-6-(4-methoxyphenyl)-2,4-diphenyl- is sourced from PubChem (CID 3082048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).