6-tert-butyl-3-methoxy-4-methylpyridazine

C10H16N2O — CID 123891644

IUPAC6-tert-butyl-3-methoxy-4-methylpyridazine
SMILESCOc1nnc(C(C)(C)C)cc1C
InChIInChI=1S/C10H16N2O/c1-7-6-8(10(2,3)4)11-12-9(7)13-5/h6H,1-5H3
InChIKeyLNAOHIJZGANTGV-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.09
Rot. Bonds1

About 6-tert-butyl-3-methoxy-4-methylpyridazine

6-tert-butyl-3-methoxy-4-methylpyridazine (PubChem CID 123891644) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-tert-butyl-3-methoxy-4-methylpyridazine.

Molecular Properties

Compound Name6-tert-butyl-3-methoxy-4-methylpyridazine
PubChem CID123891644
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name6-tert-butyl-3-methoxy-4-methylpyridazine
SMILESCOc1nnc(C(C)(C)C)cc1C
InChIInChI=1S/C10H16N2O/c1-7-6-8(10(2,3)4)11-12-9(7)13-5/h6H,1-5H3
InChIKeyLNAOHIJZGANTGV-UHFFFAOYSA-N
XLogP2.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-3-methoxy-4-methylpyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methoxy-4-methylpyridazine?
The IUPAC name of 6-tert-butyl-3-methoxy-4-methylpyridazine (CID 123891644) is 6-tert-butyl-3-methoxy-4-methylpyridazine.
What is the SMILES notation for 6-tert-butyl-3-methoxy-4-methylpyridazine?
The canonical SMILES for 6-tert-butyl-3-methoxy-4-methylpyridazine is COc1nnc(C(C)(C)C)cc1C.
What is the InChIKey of 6-tert-butyl-3-methoxy-4-methylpyridazine?
The InChIKey is LNAOHIJZGANTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-6-8(10(2,3)4)11-12-9(7)13-5/h6H,1-5H3.
What are the key properties of 6-tert-butyl-3-methoxy-4-methylpyridazine?
6-tert-butyl-3-methoxy-4-methylpyridazine has a molecular weight of 180.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methoxy-4-methylpyridazine is sourced from PubChem (CID 123891644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).