4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine

C12H20N2O — CID 126747874

IUPAC4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine
SMILESCOc1nnc(C(C)C)cc1C(C)(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)10-7-9(12(3,4)5)11(15-6)14-13-10/h7-8H,1-6H3
InChIKeyVUKUVEYGHLPFEU-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.91
Rot. Bonds2

About 4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine

4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine (PubChem CID 126747874) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine
PubChem CID126747874
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine
SMILESCOc1nnc(C(C)C)cc1C(C)(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)10-7-9(12(3,4)5)11(15-6)14-13-10/h7-8H,1-6H3
InChIKeyVUKUVEYGHLPFEU-UHFFFAOYSA-N
XLogP2.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine?
The IUPAC name of 4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine (CID 126747874) is 4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine.
What is the SMILES notation for 4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine?
The canonical SMILES for 4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine is COc1nnc(C(C)C)cc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine?
The InChIKey is VUKUVEYGHLPFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)10-7-9(12(3,4)5)11(15-6)14-13-10/h7-8H,1-6H3.
What are the key properties of 4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine?
4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine has a molecular weight of 208.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methoxy-6-propan-2-ylpyridazine is sourced from PubChem (CID 126747874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).