2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine

C15H23N3 — CID 177267270

IUPAC2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine
SMILESCC(C)(C)C1=CN2N=C(C(C)(C)C)C=CC2C=N1
InChIInChI=1S/C15H23N3/c1-14(2,3)12-8-7-11-9-16-13(15(4,5)6)10-18(11)17-12/h7-11H,1-6H3
InChIKeyVXQUPQAPWMDRDK-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.60
Rot. Bonds

About 2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine

2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine (PubChem CID 177267270) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine.

Molecular Properties

Compound Name2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine
PubChem CID177267270
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine
SMILESCC(C)(C)C1=CN2N=C(C(C)(C)C)C=CC2C=N1
InChIInChI=1S/C15H23N3/c1-14(2,3)12-8-7-11-9-16-13(15(4,5)6)10-18(11)17-12/h7-11H,1-6H3
InChIKeyVXQUPQAPWMDRDK-UHFFFAOYSA-N
XLogP3.60
TPSA27.96 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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine?
The IUPAC name of 2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine (CID 177267270) is 2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine.
What is the SMILES notation for 2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine?
The canonical SMILES for 2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine is CC(C)(C)C1=CN2N=C(C(C)(C)C)C=CC2C=N1.
What is the InChIKey of 2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine?
The InChIKey is VXQUPQAPWMDRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-14(2,3)12-8-7-11-9-16-13(15(4,5)6)10-18(11)17-12/h7-11H,1-6H3.
What are the key properties of 2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine?
2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine has a molecular weight of 245.37 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine is sourced from PubChem (CID 177267270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).