2,3-ditert-butyl-6-methyl-3H-pyridazine

C13H24N2 — CID 23540004

IUPAC2,3-ditert-butyl-6-methyl-3H-pyridazine
SMILESCC1=NN(C(C)(C)C)C(C(C)(C)C)C=C1
InChIInChI=1S/C13H24N2/c1-10-8-9-11(12(2,3)4)15(14-10)13(5,6)7/h8-9,11H,1-7H3
InChIKeyHGEKVCZFUFXDFP-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.45
Rot. Bonds

About 2,3-ditert-butyl-6-methyl-3H-pyridazine

2,3-ditert-butyl-6-methyl-3H-pyridazine (PubChem CID 23540004) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2,3-ditert-butyl-6-methyl-3H-pyridazine.

Molecular Properties

Compound Name2,3-ditert-butyl-6-methyl-3H-pyridazine
PubChem CID23540004
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2,3-ditert-butyl-6-methyl-3H-pyridazine
SMILESCC1=NN(C(C)(C)C)C(C(C)(C)C)C=C1
InChIInChI=1S/C13H24N2/c1-10-8-9-11(12(2,3)4)15(14-10)13(5,6)7/h8-9,11H,1-7H3
InChIKeyHGEKVCZFUFXDFP-UHFFFAOYSA-N
XLogP3.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-6-methyl-3H-pyridazine?
The IUPAC name of 2,3-ditert-butyl-6-methyl-3H-pyridazine (CID 23540004) is 2,3-ditert-butyl-6-methyl-3H-pyridazine.
What is the SMILES notation for 2,3-ditert-butyl-6-methyl-3H-pyridazine?
The canonical SMILES for 2,3-ditert-butyl-6-methyl-3H-pyridazine is CC1=NN(C(C)(C)C)C(C(C)(C)C)C=C1.
What is the InChIKey of 2,3-ditert-butyl-6-methyl-3H-pyridazine?
The InChIKey is HGEKVCZFUFXDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-10-8-9-11(12(2,3)4)15(14-10)13(5,6)7/h8-9,11H,1-7H3.
What are the key properties of 2,3-ditert-butyl-6-methyl-3H-pyridazine?
2,3-ditert-butyl-6-methyl-3H-pyridazine has a molecular weight of 208.35 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-6-methyl-3H-pyridazine is sourced from PubChem (CID 23540004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).