1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine

C15H24N2 — CID 67678958

IUPAC1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESCC(C)(C)c1nnc(C(C)(C)C)c2c1CCC2
InChIInChI=1S/C15H24N2/c1-14(2,3)12-10-8-7-9-11(10)13(17-16-12)15(4,5)6/h7-9H2,1-6H3
InChIKeyBGSGXILCLAFNFP-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.56
Rot. Bonds

About 1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine

1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine (PubChem CID 67678958) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine.

Molecular Properties

Compound Name1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine
PubChem CID67678958
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESCC(C)(C)c1nnc(C(C)(C)C)c2c1CCC2
InChIInChI=1S/C15H24N2/c1-14(2,3)12-10-8-7-9-11(10)13(17-16-12)15(4,5)6/h7-9H2,1-6H3
InChIKeyBGSGXILCLAFNFP-UHFFFAOYSA-N
XLogP3.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The IUPAC name of 1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine (CID 67678958) is 1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine.
What is the SMILES notation for 1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The canonical SMILES for 1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine is CC(C)(C)c1nnc(C(C)(C)C)c2c1CCC2.
What is the InChIKey of 1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The InChIKey is BGSGXILCLAFNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-14(2,3)12-10-8-7-9-11(10)13(17-16-12)15(4,5)6/h7-9H2,1-6H3.
What are the key properties of 1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine has a molecular weight of 232.37 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine is sourced from PubChem (CID 67678958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).