4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene

C12H21N3 — CID 170264051

IUPAC4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene
SMILESCC(C)(C)n1nnc2c1C(C)(C)C2(C)C
InChIInChI=1S/C12H21N3/c1-10(2,3)15-9-8(13-14-15)11(4,5)12(9,6)7/h1-7H3
InChIKeyYCUGHERVNLLNDV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.60
Rot. Bonds

About 4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene

4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene (PubChem CID 170264051) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene.

Molecular Properties

Compound Name4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene
PubChem CID170264051
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene
SMILESCC(C)(C)n1nnc2c1C(C)(C)C2(C)C
InChIInChI=1S/C12H21N3/c1-10(2,3)15-9-8(13-14-15)11(4,5)12(9,6)7/h1-7H3
InChIKeyYCUGHERVNLLNDV-UHFFFAOYSA-N
XLogP2.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene with MolForge

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Related Compounds

1,4-ditert-butyl-5-chlorotriazole
CID 126749913
1,5-ditert-butyl-4-methyltriazole
CID 122599579
1,5-ditert-butyltriazol-4-amine
CID 103482213
3-tert-butyl-9,9-difluoro-6-propan-2-yl-5,6,7,8-tetrahydro-4H-cycloocta[d]triazole
CID 146352694
1-tert-butyl-5-fluorobenzotriazole
CID 90305925
1-tert-butyl-4-fluoro-5-methoxytriazole
CID 146378180
3-tert-butyl-4,4-difluoro-5-propan-2-yl-6,7,8,9-tetrahydro-5H-cycloocta[d]triazole
CID 166765844
1-tert-butyl-5-isocyanobenzotriazole
CID 140846004
1-tert-butyl-5-methyl-4-(2-methylbutan-2-yl)triazole
CID 155114186
1,5-ditert-butyltriazole-4-carboxylic acid
CID 103482127
1-tert-butyl-5-methoxybenzotriazole
CID 134294764
1,4-ditert-butyl-5-cyclopropyltriazole
CID 126751707

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene?
The IUPAC name of 4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene (CID 170264051) is 4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene.
What is the SMILES notation for 4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene?
The canonical SMILES for 4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene is CC(C)(C)n1nnc2c1C(C)(C)C2(C)C.
What is the InChIKey of 4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene?
The InChIKey is YCUGHERVNLLNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2,3)15-9-8(13-14-15)11(4,5)12(9,6)7/h1-7H3.
What are the key properties of 4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene?
4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene has a molecular weight of 207.32 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6,6,7,7-tetramethyl-2,3,4-triazabicyclo[3.2.0]hepta-1(5),2-diene is sourced from PubChem (CID 170264051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).