bis(6-tert-butylpyridazin-3-yl)methanone

C17H22N4O — CID 58250559

IUPACbis(6-tert-butylpyridazin-3-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccc(C(C)(C)C)nn2)nn1
InChIInChI=1S/C17H22N4O/c1-16(2,3)13-9-7-11(18-20-13)15(22)12-8-10-14(21-19-12)17(4,5)6/h7-10H,1-6H3
InChIKeyQUDHPRJNWNWGFC-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.09
Rot. Bonds2

About bis(6-tert-butylpyridazin-3-yl)methanone

bis(6-tert-butylpyridazin-3-yl)methanone (PubChem CID 58250559) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is bis(6-tert-butylpyridazin-3-yl)methanone.

Molecular Properties

Compound Namebis(6-tert-butylpyridazin-3-yl)methanone
PubChem CID58250559
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Namebis(6-tert-butylpyridazin-3-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccc(C(C)(C)C)nn2)nn1
InChIInChI=1S/C17H22N4O/c1-16(2,3)13-9-7-11(18-20-13)15(22)12-8-10-14(21-19-12)17(4,5)6/h7-10H,1-6H3
InChIKeyQUDHPRJNWNWGFC-UHFFFAOYSA-N
XLogP3.09
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(6-tert-butylpyridazin-3-yl)methanone?
The IUPAC name of bis(6-tert-butylpyridazin-3-yl)methanone (CID 58250559) is bis(6-tert-butylpyridazin-3-yl)methanone.
What is the SMILES notation for bis(6-tert-butylpyridazin-3-yl)methanone?
The canonical SMILES for bis(6-tert-butylpyridazin-3-yl)methanone is CC(C)(C)c1ccc(C(=O)c2ccc(C(C)(C)C)nn2)nn1.
What is the InChIKey of bis(6-tert-butylpyridazin-3-yl)methanone?
The InChIKey is QUDHPRJNWNWGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-16(2,3)13-9-7-11(18-20-13)15(22)12-8-10-14(21-19-12)17(4,5)6/h7-10H,1-6H3.
What are the key properties of bis(6-tert-butylpyridazin-3-yl)methanone?
bis(6-tert-butylpyridazin-3-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-tert-butylpyridazin-3-yl)methanone is sourced from PubChem (CID 58250559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).