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

C10H18N4 — CID 20532542

IUPAC3,6-dibutyl-1,2,4,5-tetrazine
SMILESCCCCc1nnc(CCCC)nn1
InChIInChI=1S/C10H18N4/c1-3-5-7-9-11-13-10(14-12-9)8-6-4-2/h3-8H2,1-2H3
InChIKeyBSGHYRVSNNDJPR-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.95
Rot. Bonds6

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

3,6-dibutyl-1,2,4,5-tetrazine (PubChem CID 20532542) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,6-dibutyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-dibutyl-1,2,4,5-tetrazine
PubChem CID20532542
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3,6-dibutyl-1,2,4,5-tetrazine
SMILESCCCCc1nnc(CCCC)nn1
InChIInChI=1S/C10H18N4/c1-3-5-7-9-11-13-10(14-12-9)8-6-4-2/h3-8H2,1-2H3
InChIKeyBSGHYRVSNNDJPR-UHFFFAOYSA-N
XLogP1.95
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibutyl-1,2,4,5-tetrazine?
The IUPAC name of 3,6-dibutyl-1,2,4,5-tetrazine (CID 20532542) is 3,6-dibutyl-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-dibutyl-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-dibutyl-1,2,4,5-tetrazine is CCCCc1nnc(CCCC)nn1.
What is the InChIKey of 3,6-dibutyl-1,2,4,5-tetrazine?
The InChIKey is BSGHYRVSNNDJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-5-7-9-11-13-10(14-12-9)8-6-4-2/h3-8H2,1-2H3.
What are the key properties of 3,6-dibutyl-1,2,4,5-tetrazine?
3,6-dibutyl-1,2,4,5-tetrazine has a molecular weight of 194.28 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibutyl-1,2,4,5-tetrazine is sourced from PubChem (CID 20532542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).