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

C8H14N4 — CID 535019

IUPAC3,6-dipropyl-1,2,4,5-tetrazine
SMILESCCCc1nnc(CCC)nn1
InChIInChI=1S/C8H14N4/c1-3-5-7-9-11-8(6-4-2)12-10-7/h3-6H2,1-2H3
InChIKeyDGZOKXCALOCJDX-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.17
Rot. Bonds4

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

3,6-dipropyl-1,2,4,5-tetrazine (PubChem CID 535019) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3,6-dipropyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-dipropyl-1,2,4,5-tetrazine
PubChem CID535019
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3,6-dipropyl-1,2,4,5-tetrazine
SMILESCCCc1nnc(CCC)nn1
InChIInChI=1S/C8H14N4/c1-3-5-7-9-11-8(6-4-2)12-10-7/h3-6H2,1-2H3
InChIKeyDGZOKXCALOCJDX-UHFFFAOYSA-N
XLogP1.17
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dipropyl-1,2,4,5-tetrazine?
The IUPAC name of 3,6-dipropyl-1,2,4,5-tetrazine (CID 535019) is 3,6-dipropyl-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-dipropyl-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-dipropyl-1,2,4,5-tetrazine is CCCc1nnc(CCC)nn1.
What is the InChIKey of 3,6-dipropyl-1,2,4,5-tetrazine?
The InChIKey is DGZOKXCALOCJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-3-5-7-9-11-8(6-4-2)12-10-7/h3-6H2,1-2H3.
What are the key properties of 3,6-dipropyl-1,2,4,5-tetrazine?
3,6-dipropyl-1,2,4,5-tetrazine has a molecular weight of 166.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dipropyl-1,2,4,5-tetrazine is sourced from PubChem (CID 535019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).