3,6-diethyl-1,2,4,5-tetrazine

C6H10N4 — CID 533498

IUPAC3,6-diethyl-1,2,4,5-tetrazine
SMILESCCc1nnc(CC)nn1
InChIInChI=1S/C6H10N4/c1-3-5-7-9-6(4-2)10-8-5/h3-4H2,1-2H3
InChIKeyFJLNLVDWWLZFIP-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.39
Rot. Bonds2

About 3,6-diethyl-1,2,4,5-tetrazine

3,6-diethyl-1,2,4,5-tetrazine (PubChem CID 533498) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3,6-diethyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-diethyl-1,2,4,5-tetrazine
PubChem CID533498
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name3,6-diethyl-1,2,4,5-tetrazine
SMILESCCc1nnc(CC)nn1
InChIInChI=1S/C6H10N4/c1-3-5-7-9-6(4-2)10-8-5/h3-4H2,1-2H3
InChIKeyFJLNLVDWWLZFIP-UHFFFAOYSA-N
XLogP0.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1,2,4,5-tetrazine?
The IUPAC name of 3,6-diethyl-1,2,4,5-tetrazine (CID 533498) is 3,6-diethyl-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-diethyl-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-diethyl-1,2,4,5-tetrazine is CCc1nnc(CC)nn1.
What is the InChIKey of 3,6-diethyl-1,2,4,5-tetrazine?
The InChIKey is FJLNLVDWWLZFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-3-5-7-9-6(4-2)10-8-5/h3-4H2,1-2H3.
What are the key properties of 3,6-diethyl-1,2,4,5-tetrazine?
3,6-diethyl-1,2,4,5-tetrazine has a molecular weight of 138.17 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1,2,4,5-tetrazine is sourced from PubChem (CID 533498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).