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

C16H16N4 — CID 621971

IUPAC1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine
SMILESCN1N=C(c2ccccc2)N(C)N=C1c1ccccc1
InChIInChI=1S/C16H16N4/c1-19-15(13-9-5-3-6-10-13)18-20(2)16(17-19)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyDJVANJCJHCKTFF-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.59
Rot. Bonds2

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

1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine (PubChem CID 621971) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine
PubChem CID621971
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine
SMILESCN1N=C(c2ccccc2)N(C)N=C1c1ccccc1
InChIInChI=1S/C16H16N4/c1-19-15(13-9-5-3-6-10-13)18-20(2)16(17-19)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyDJVANJCJHCKTFF-UHFFFAOYSA-N
XLogP2.59
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine?
The IUPAC name of 1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine (CID 621971) is 1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine.
What is the SMILES notation for 1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine?
The canonical SMILES for 1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine is CN1N=C(c2ccccc2)N(C)N=C1c1ccccc1.
What is the InChIKey of 1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine?
The InChIKey is DJVANJCJHCKTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-19-15(13-9-5-3-6-10-13)18-20(2)16(17-19)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine?
1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine has a molecular weight of 264.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine is sourced from PubChem (CID 621971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).