1,5-dimethyl-2H-tetrazine

C4H8N4 — CID 139532843

IUPAC1,5-dimethyl-2H-tetrazine
SMILESCC1=CN(C)NN=N1
InChIInChI=1S/C4H8N4/c1-4-3-8(2)7-6-5-4/h3H,1-2H3,(H,5,7)
InChIKeyNKCNZSUSRXOXCG-UHFFFAOYSA-N
MW112.14 g/mol
LogP0.66
Rot. Bonds

About 1,5-dimethyl-2H-tetrazine

1,5-dimethyl-2H-tetrazine (PubChem CID 139532843) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 1,5-dimethyl-2H-tetrazine.

Molecular Properties

Compound Name1,5-dimethyl-2H-tetrazine
PubChem CID139532843
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name1,5-dimethyl-2H-tetrazine
SMILESCC1=CN(C)NN=N1
InChIInChI=1S/C4H8N4/c1-4-3-8(2)7-6-5-4/h3H,1-2H3,(H,5,7)
InChIKeyNKCNZSUSRXOXCG-UHFFFAOYSA-N
XLogP0.66
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2H-tetrazine?
The IUPAC name of 1,5-dimethyl-2H-tetrazine (CID 139532843) is 1,5-dimethyl-2H-tetrazine.
What is the SMILES notation for 1,5-dimethyl-2H-tetrazine?
The canonical SMILES for 1,5-dimethyl-2H-tetrazine is CC1=CN(C)NN=N1.
What is the InChIKey of 1,5-dimethyl-2H-tetrazine?
The InChIKey is NKCNZSUSRXOXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-4-3-8(2)7-6-5-4/h3H,1-2H3,(H,5,7).
What are the key properties of 1,5-dimethyl-2H-tetrazine?
1,5-dimethyl-2H-tetrazine has a molecular weight of 112.14 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2H-tetrazine is sourced from PubChem (CID 139532843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).