5-tert-butyltetrazine

C6H10N4 — CID 90307206

IUPAC5-tert-butyltetrazine
SMILESCC(C)(C)c1cnnnn1
InChIInChI=1S/C6H10N4/c1-6(2,3)5-4-7-9-10-8-5/h4H,1-3H3
InChIKeySWDRIIQMDVIAFM-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.56
Rot. Bonds

About 5-tert-butyltetrazine

5-tert-butyltetrazine (PubChem CID 90307206) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-tert-butyltetrazine.

Molecular Properties

Compound Name5-tert-butyltetrazine
PubChem CID90307206
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5-tert-butyltetrazine
SMILESCC(C)(C)c1cnnnn1
InChIInChI=1S/C6H10N4/c1-6(2,3)5-4-7-9-10-8-5/h4H,1-3H3
InChIKeySWDRIIQMDVIAFM-UHFFFAOYSA-N
XLogP0.56
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyltetrazine?
The IUPAC name of 5-tert-butyltetrazine (CID 90307206) is 5-tert-butyltetrazine.
What is the SMILES notation for 5-tert-butyltetrazine?
The canonical SMILES for 5-tert-butyltetrazine is CC(C)(C)c1cnnnn1.
What is the InChIKey of 5-tert-butyltetrazine?
The InChIKey is SWDRIIQMDVIAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-6(2,3)5-4-7-9-10-8-5/h4H,1-3H3.
What are the key properties of 5-tert-butyltetrazine?
5-tert-butyltetrazine has a molecular weight of 138.17 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyltetrazine is sourced from PubChem (CID 90307206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).