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

C6H16N4 — CID 11159380

IUPAC3,6-diethyl-1,2,4,5-tetrazinane
SMILESCCC1NNC(CC)NN1
InChIInChI=1S/C6H16N4/c1-3-5-7-9-6(4-2)10-8-5/h5-10H,3-4H2,1-2H3
InChIKeyGMHIDKBRWJOKGO-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.34
Rot. Bonds2

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

3,6-diethyl-1,2,4,5-tetrazinane (PubChem CID 11159380) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 3,6-diethyl-1,2,4,5-tetrazinane.

Molecular Properties

Compound Name3,6-diethyl-1,2,4,5-tetrazinane
PubChem CID11159380
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name3,6-diethyl-1,2,4,5-tetrazinane
SMILESCCC1NNC(CC)NN1
InChIInChI=1S/C6H16N4/c1-3-5-7-9-6(4-2)10-8-5/h5-10H,3-4H2,1-2H3
InChIKeyGMHIDKBRWJOKGO-UHFFFAOYSA-N
XLogP-0.34
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1,2,4,5-tetrazinane?
The IUPAC name of 3,6-diethyl-1,2,4,5-tetrazinane (CID 11159380) is 3,6-diethyl-1,2,4,5-tetrazinane.
What is the SMILES notation for 3,6-diethyl-1,2,4,5-tetrazinane?
The canonical SMILES for 3,6-diethyl-1,2,4,5-tetrazinane is CCC1NNC(CC)NN1.
What is the InChIKey of 3,6-diethyl-1,2,4,5-tetrazinane?
The InChIKey is GMHIDKBRWJOKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-3-5-7-9-6(4-2)10-8-5/h5-10H,3-4H2,1-2H3.
What are the key properties of 3,6-diethyl-1,2,4,5-tetrazinane?
3,6-diethyl-1,2,4,5-tetrazinane has a molecular weight of 144.22 g/mol, XLogP of -0.34, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1,2,4,5-tetrazinane is sourced from PubChem (CID 11159380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).