3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane

C18H20N4 — CID 145320903

IUPAC3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
SMILESCC.Cc1ccccc1-c1nnc(-c2ccccc2C)nn1
InChIInChI=1S/C16H14N4.C2H6/c1-11-7-3-5-9-13(11)15-17-19-16(20-18-15)14-10-6-4-8-12(14)2;1-2/h3-10H,1-2H3;1-2H3
InChIKeyOGLLNJNBTYNNOB-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.24
Rot. Bonds2

About 3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane

3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane (PubChem CID 145320903) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane.

Molecular Properties

Compound Name3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
PubChem CID145320903
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
SMILESCC.Cc1ccccc1-c1nnc(-c2ccccc2C)nn1
InChIInChI=1S/C16H14N4.C2H6/c1-11-7-3-5-9-13(11)15-17-19-16(20-18-15)14-10-6-4-8-12(14)2;1-2/h3-10H,1-2H3;1-2H3
InChIKeyOGLLNJNBTYNNOB-UHFFFAOYSA-N
XLogP4.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine
CID 145320896
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730671
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338
2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 154968468
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
4,5-bis(2-methylphenyl)oxadiazole
CID 21443592
ethane;methane;pentakis(1,2-xylene)
CID 158909718
4-(2-methylphenyl)-1,3,5-triazin-2-amine
CID 63868713
ethane;1,2-xylene;dihydrochloride
CID 174677530

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane?
The IUPAC name of 3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane (CID 145320903) is 3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane.
What is the SMILES notation for 3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane?
The canonical SMILES for 3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane is CC.Cc1ccccc1-c1nnc(-c2ccccc2C)nn1.
What is the InChIKey of 3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane?
The InChIKey is OGLLNJNBTYNNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4.C2H6/c1-11-7-3-5-9-13(11)15-17-19-16(20-18-15)14-10-6-4-8-12(14)2;1-2/h3-10H,1-2H3;1-2H3.
What are the key properties of 3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane?
3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane has a molecular weight of 292.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane is sourced from PubChem (CID 145320903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).