3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine

C16H16N4 — CID 178022259

IUPAC3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine
SMILESCCc1cccc(C2=NNC(c3ccccc3)=NN2)c1
InChIInChI=1S/C16H16N4/c1-2-12-7-6-10-14(11-12)16-19-17-15(18-20-16)13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyWNODMLPDLRYSEH-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.47
Rot. Bonds3

About 3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine

3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine (PubChem CID 178022259) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine
PubChem CID178022259
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine
SMILESCCc1cccc(C2=NNC(c3ccccc3)=NN2)c1
InChIInChI=1S/C16H16N4/c1-2-12-7-6-10-14(11-12)16-19-17-15(18-20-16)13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyWNODMLPDLRYSEH-UHFFFAOYSA-N
XLogP2.47
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine?
The IUPAC name of 3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine (CID 178022259) is 3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine?
The canonical SMILES for 3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine is CCc1cccc(C2=NNC(c3ccccc3)=NN2)c1.
What is the InChIKey of 3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine?
The InChIKey is WNODMLPDLRYSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-12-7-6-10-14(11-12)16-19-17-15(18-20-16)13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine?
3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine has a molecular weight of 264.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine is sourced from PubChem (CID 178022259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).