3-tert-butyl-6-methyl-1,2,4,5-tetrazine

C7H12N4 — CID 129013541

IUPAC3-tert-butyl-6-methyl-1,2,4,5-tetrazine
SMILESCc1nnc(C(C)(C)C)nn1
InChIInChI=1S/C7H12N4/c1-5-8-10-6(11-9-5)7(2,3)4/h1-4H3
InChIKeyUHLZCGMYRRQTRY-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.87
Rot. Bonds

About 3-tert-butyl-6-methyl-1,2,4,5-tetrazine

3-tert-butyl-6-methyl-1,2,4,5-tetrazine (PubChem CID 129013541) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-1,2,4,5-tetrazine
PubChem CID129013541
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name3-tert-butyl-6-methyl-1,2,4,5-tetrazine
SMILESCc1nnc(C(C)(C)C)nn1
InChIInChI=1S/C7H12N4/c1-5-8-10-6(11-9-5)7(2,3)4/h1-4H3
InChIKeyUHLZCGMYRRQTRY-UHFFFAOYSA-N
XLogP0.87
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-1,2,4,5-tetrazine?
The IUPAC name of 3-tert-butyl-6-methyl-1,2,4,5-tetrazine (CID 129013541) is 3-tert-butyl-6-methyl-1,2,4,5-tetrazine.
What is the SMILES notation for 3-tert-butyl-6-methyl-1,2,4,5-tetrazine?
The canonical SMILES for 3-tert-butyl-6-methyl-1,2,4,5-tetrazine is Cc1nnc(C(C)(C)C)nn1.
What is the InChIKey of 3-tert-butyl-6-methyl-1,2,4,5-tetrazine?
The InChIKey is UHLZCGMYRRQTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-5-8-10-6(11-9-5)7(2,3)4/h1-4H3.
What are the key properties of 3-tert-butyl-6-methyl-1,2,4,5-tetrazine?
3-tert-butyl-6-methyl-1,2,4,5-tetrazine has a molecular weight of 152.20 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-1,2,4,5-tetrazine is sourced from PubChem (CID 129013541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).