3,6-di(propan-2-yl)-1,2,4,5-tetrazine

C8H14N4 — CID 536642

IUPAC3,6-di(propan-2-yl)-1,2,4,5-tetrazine
SMILESCC(C)c1nnc(C(C)C)nn1
InChIInChI=1S/C8H14N4/c1-5(2)7-9-11-8(6(3)4)12-10-7/h5-6H,1-4H3
InChIKeyHIHLOTXWVCLNEX-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.51
Rot. Bonds2

About 3,6-di(propan-2-yl)-1,2,4,5-tetrazine

3,6-di(propan-2-yl)-1,2,4,5-tetrazine (PubChem CID 536642) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-1,2,4,5-tetrazine
PubChem CID536642
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3,6-di(propan-2-yl)-1,2,4,5-tetrazine
SMILESCC(C)c1nnc(C(C)C)nn1
InChIInChI=1S/C8H14N4/c1-5(2)7-9-11-8(6(3)4)12-10-7/h5-6H,1-4H3
InChIKeyHIHLOTXWVCLNEX-UHFFFAOYSA-N
XLogP1.51
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-1,2,4,5-tetrazine?
The IUPAC name of 3,6-di(propan-2-yl)-1,2,4,5-tetrazine (CID 536642) is 3,6-di(propan-2-yl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-di(propan-2-yl)-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-di(propan-2-yl)-1,2,4,5-tetrazine is CC(C)c1nnc(C(C)C)nn1.
What is the InChIKey of 3,6-di(propan-2-yl)-1,2,4,5-tetrazine?
The InChIKey is HIHLOTXWVCLNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-5(2)7-9-11-8(6(3)4)12-10-7/h5-6H,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)-1,2,4,5-tetrazine?
3,6-di(propan-2-yl)-1,2,4,5-tetrazine has a molecular weight of 166.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-1,2,4,5-tetrazine is sourced from PubChem (CID 536642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).