3-ethyl-6-methyl-1,2,4,5-tetrazine

C5H8N4 — CID 74062996

IUPAC3-ethyl-6-methyl-1,2,4,5-tetrazine
SMILESCCc1nnc(C)nn1
InChIInChI=1S/C5H8N4/c1-3-5-8-6-4(2)7-9-5/h3H2,1-2H3
InChIKeyXOXVMZJKJWSCJL-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.14
Rot. Bonds1

About 3-ethyl-6-methyl-1,2,4,5-tetrazine

3-ethyl-6-methyl-1,2,4,5-tetrazine (PubChem CID 74062996) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 3-ethyl-6-methyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-ethyl-6-methyl-1,2,4,5-tetrazine
PubChem CID74062996
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name3-ethyl-6-methyl-1,2,4,5-tetrazine
SMILESCCc1nnc(C)nn1
InChIInChI=1S/C5H8N4/c1-3-5-8-6-4(2)7-9-5/h3H2,1-2H3
InChIKeyXOXVMZJKJWSCJL-UHFFFAOYSA-N
XLogP0.14
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-1,2,4,5-tetrazine?
The IUPAC name of 3-ethyl-6-methyl-1,2,4,5-tetrazine (CID 74062996) is 3-ethyl-6-methyl-1,2,4,5-tetrazine.
What is the SMILES notation for 3-ethyl-6-methyl-1,2,4,5-tetrazine?
The canonical SMILES for 3-ethyl-6-methyl-1,2,4,5-tetrazine is CCc1nnc(C)nn1.
What is the InChIKey of 3-ethyl-6-methyl-1,2,4,5-tetrazine?
The InChIKey is XOXVMZJKJWSCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-3-5-8-6-4(2)7-9-5/h3H2,1-2H3.
What are the key properties of 3-ethyl-6-methyl-1,2,4,5-tetrazine?
3-ethyl-6-methyl-1,2,4,5-tetrazine has a molecular weight of 124.15 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-1,2,4,5-tetrazine is sourced from PubChem (CID 74062996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).