6-(dimethylamino)-2-propan-2-ylpyridazin-3-one

C9H15N3O — CID 126857363

IUPAC6-(dimethylamino)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(N(C)C)ccc1=O
InChIInChI=1S/C9H15N3O/c1-7(2)12-9(13)6-5-8(10-12)11(3)4/h5-7H,1-4H3
InChIKeyVCBZSWDNFJIYAB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.89
Rot. Bonds2

About 6-(dimethylamino)-2-propan-2-ylpyridazin-3-one

6-(dimethylamino)-2-propan-2-ylpyridazin-3-one (PubChem CID 126857363) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-(dimethylamino)-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-propan-2-ylpyridazin-3-one
PubChem CID126857363
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-(dimethylamino)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(N(C)C)ccc1=O
InChIInChI=1S/C9H15N3O/c1-7(2)12-9(13)6-5-8(10-12)11(3)4/h5-7H,1-4H3
InChIKeyVCBZSWDNFJIYAB-UHFFFAOYSA-N
XLogP0.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 19739706
CID 19739706
CID 19739720
CID 19739720
CID 116788154
CID 116788154
CID 163438899
CID 163438899
CID 163438900
CID 163438900
CID 165381257
CID 165381257
CID 166653623
CID 166653623
CID 13274970
CID 13274970
CID 13274973
CID 13274973
CID 82467417
CID 82467417
CID 121205026
CID 121205026
CID 126857351
CID 126857351

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-(dimethylamino)-2-propan-2-ylpyridazin-3-one (CID 126857363) is 6-(dimethylamino)-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-(dimethylamino)-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-(dimethylamino)-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(N(C)C)ccc1=O.
What is the InChIKey of 6-(dimethylamino)-2-propan-2-ylpyridazin-3-one?
The InChIKey is VCBZSWDNFJIYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)12-9(13)6-5-8(10-12)11(3)4/h5-7H,1-4H3.
What are the key properties of 6-(dimethylamino)-2-propan-2-ylpyridazin-3-one?
6-(dimethylamino)-2-propan-2-ylpyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 126857363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).