3,6-bis(4-methylphenyl)-2H-tetrazine

C16H16N4 — CID 22216066

IUPAC3,6-bis(4-methylphenyl)-2H-tetrazine
SMILESCc1ccc(C2=NNN(c3ccc(C)cc3)N=C2)cc1
InChIInChI=1S/C16H16N4/c1-12-3-7-14(8-4-12)16-11-17-20(19-18-16)15-9-5-13(2)6-10-15/h3-11,19H,1-2H3
InChIKeyFFESGIWFMDEHTO-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.02
Rot. Bonds2

About 3,6-bis(4-methylphenyl)-2H-tetrazine

3,6-bis(4-methylphenyl)-2H-tetrazine (PubChem CID 22216066) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3,6-bis(4-methylphenyl)-2H-tetrazine.

Molecular Properties

Compound Name3,6-bis(4-methylphenyl)-2H-tetrazine
PubChem CID22216066
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name3,6-bis(4-methylphenyl)-2H-tetrazine
SMILESCc1ccc(C2=NNN(c3ccc(C)cc3)N=C2)cc1
InChIInChI=1S/C16H16N4/c1-12-3-7-14(8-4-12)16-11-17-20(19-18-16)15-9-5-13(2)6-10-15/h3-11,19H,1-2H3
InChIKeyFFESGIWFMDEHTO-UHFFFAOYSA-N
XLogP3.02
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Methyl-benzylidene)-N'-phenyl-hydrazine
CID 9601289
1-(4-Methylbenzylidene)-2-phenylhydrazine
CID 249843
1,4-Benzenedicarboxaldehyde bis(phenylhydrazone)
CID 9671678
N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline
CID 118706106
N-[(E)-[4-[3-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline
CID 134164401
N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline
CID 146304249
p-Methylbenzylidene p-butylaniline
CID 123473
Propanedinitrile, ((4-(1-(phenylhydrazono)ethyl)phenyl)azo)-
CID 9570101
p-Tolualdehyde, (p-tricyanovinylphenyl)hydrazone
CID 9588268
N,N'-(1,4-Phenylenedimethylidyne)bis(4-ethylaniline)
CID 3312333
4-Isopropylbenzaldehyde phenylhydrazone
CID 9670274
Phenylglyoxal-bisphenylhydrazon
CID 9554471

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-methylphenyl)-2H-tetrazine?
The IUPAC name of 3,6-bis(4-methylphenyl)-2H-tetrazine (CID 22216066) is 3,6-bis(4-methylphenyl)-2H-tetrazine.
What is the SMILES notation for 3,6-bis(4-methylphenyl)-2H-tetrazine?
The canonical SMILES for 3,6-bis(4-methylphenyl)-2H-tetrazine is Cc1ccc(C2=NNN(c3ccc(C)cc3)N=C2)cc1.
What is the InChIKey of 3,6-bis(4-methylphenyl)-2H-tetrazine?
The InChIKey is FFESGIWFMDEHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-12-3-7-14(8-4-12)16-11-17-20(19-18-16)15-9-5-13(2)6-10-15/h3-11,19H,1-2H3.
What are the key properties of 3,6-bis(4-methylphenyl)-2H-tetrazine?
3,6-bis(4-methylphenyl)-2H-tetrazine has a molecular weight of 264.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-methylphenyl)-2H-tetrazine is sourced from PubChem (CID 22216066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).