1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine

C15H25N3 — CID 71066739

IUPAC1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine
SMILESCC(C)(C)c1nnc(C(C)(C)C)c2c1CCNC2
InChIInChI=1S/C15H25N3/c1-14(2,3)12-10-7-8-16-9-11(10)13(18-17-12)15(4,5)6/h16H,7-9H2,1-6H3
InChIKeyCNPFFZOTYKGIEM-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.72
Rot. Bonds

About 1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine

1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine (PubChem CID 71066739) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine
PubChem CID71066739
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine
SMILESCC(C)(C)c1nnc(C(C)(C)C)c2c1CCNC2
InChIInChI=1S/C15H25N3/c1-14(2,3)12-10-7-8-16-9-11(10)13(18-17-12)15(4,5)6/h16H,7-9H2,1-6H3
InChIKeyCNPFFZOTYKGIEM-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine?
The IUPAC name of 1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine (CID 71066739) is 1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine.
What is the SMILES notation for 1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine?
The canonical SMILES for 1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine is CC(C)(C)c1nnc(C(C)(C)C)c2c1CCNC2.
What is the InChIKey of 1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine?
The InChIKey is CNPFFZOTYKGIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14(2,3)12-10-7-8-16-9-11(10)13(18-17-12)15(4,5)6/h16H,7-9H2,1-6H3.
What are the key properties of 1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine?
1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine has a molecular weight of 247.39 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine is sourced from PubChem (CID 71066739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).