6-tert-butyl-1-methyl-4H-pyridazine

C9H16N2 — CID 167491726

IUPAC6-tert-butyl-1-methyl-4H-pyridazine
SMILESCN1N=CCC=C1C(C)(C)C
InChIInChI=1S/C9H16N2/c1-9(2,3)8-6-5-7-10-11(8)4/h6-7H,5H2,1-4H3
InChIKeyYHUDFYCKOLVDTL-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.24
Rot. Bonds

About 6-tert-butyl-1-methyl-4H-pyridazine

6-tert-butyl-1-methyl-4H-pyridazine (PubChem CID 167491726) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-tert-butyl-1-methyl-4H-pyridazine.

Molecular Properties

Compound Name6-tert-butyl-1-methyl-4H-pyridazine
PubChem CID167491726
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name6-tert-butyl-1-methyl-4H-pyridazine
SMILESCN1N=CCC=C1C(C)(C)C
InChIInChI=1S/C9H16N2/c1-9(2,3)8-6-5-7-10-11(8)4/h6-7H,5H2,1-4H3
InChIKeyYHUDFYCKOLVDTL-UHFFFAOYSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-methyl-4H-pyridazine?
The IUPAC name of 6-tert-butyl-1-methyl-4H-pyridazine (CID 167491726) is 6-tert-butyl-1-methyl-4H-pyridazine.
What is the SMILES notation for 6-tert-butyl-1-methyl-4H-pyridazine?
The canonical SMILES for 6-tert-butyl-1-methyl-4H-pyridazine is CN1N=CCC=C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-methyl-4H-pyridazine?
The InChIKey is YHUDFYCKOLVDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2,3)8-6-5-7-10-11(8)4/h6-7H,5H2,1-4H3.
What are the key properties of 6-tert-butyl-1-methyl-4H-pyridazine?
6-tert-butyl-1-methyl-4H-pyridazine has a molecular weight of 152.24 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-methyl-4H-pyridazine is sourced from PubChem (CID 167491726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).