6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine

C15H23N3 — CID 155649396

IUPAC6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine
SMILESCC(C)(C)C1=CC2=NN=CCC2N=C1C(C)(C)C
InChIInChI=1S/C15H23N3/c1-14(2,3)10-9-12-11(7-8-16-18-12)17-13(10)15(4,5)6/h8-9,11H,7H2,1-6H3
InChIKeyBZQAIYULUNTGAD-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.66
Rot. Bonds

About 6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine

6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine (PubChem CID 155649396) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine.

Molecular Properties

Compound Name6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine
PubChem CID155649396
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine
SMILESCC(C)(C)C1=CC2=NN=CCC2N=C1C(C)(C)C
InChIInChI=1S/C15H23N3/c1-14(2,3)10-9-12-11(7-8-16-18-12)17-13(10)15(4,5)6/h8-9,11H,7H2,1-6H3
InChIKeyBZQAIYULUNTGAD-UHFFFAOYSA-N
XLogP3.66
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine
CID 122542364
2-Tert-butyl-3,8a-dihydro-1,6-naphthyridine
CID 123175766

Frequently Asked Questions

What is the IUPAC name of 6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine?
The IUPAC name of 6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine (CID 155649396) is 6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine.
What is the SMILES notation for 6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine?
The canonical SMILES for 6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine is CC(C)(C)C1=CC2=NN=CCC2N=C1C(C)(C)C.
What is the InChIKey of 6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine?
The InChIKey is BZQAIYULUNTGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-14(2,3)10-9-12-11(7-8-16-18-12)17-13(10)15(4,5)6/h8-9,11H,7H2,1-6H3.
What are the key properties of 6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine?
6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine has a molecular weight of 245.37 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine is sourced from PubChem (CID 155649396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).