1-(1,6-dihydropyridazin-4-yl)propan-1-one

C7H10N2O — CID 135193854

IUPAC1-(1,6-dihydropyridazin-4-yl)propan-1-one
SMILESCCC(=O)C1=CCNN=C1
InChIInChI=1S/C7H10N2O/c1-2-7(10)6-3-4-8-9-5-6/h3,5,8H,2,4H2,1H3
InChIKeySZBJSCOEJHLUDQ-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.48
Rot. Bonds2

About 1-(1,6-dihydropyridazin-4-yl)propan-1-one

1-(1,6-dihydropyridazin-4-yl)propan-1-one (PubChem CID 135193854) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(1,6-dihydropyridazin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,6-dihydropyridazin-4-yl)propan-1-one
PubChem CID135193854
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(1,6-dihydropyridazin-4-yl)propan-1-one
SMILESCCC(=O)C1=CCNN=C1
InChIInChI=1S/C7H10N2O/c1-2-7(10)6-3-4-8-9-5-6/h3,5,8H,2,4H2,1H3
InChIKeySZBJSCOEJHLUDQ-UHFFFAOYSA-N
XLogP0.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dihydropyridazin-4-yl)propan-1-one?
The IUPAC name of 1-(1,6-dihydropyridazin-4-yl)propan-1-one (CID 135193854) is 1-(1,6-dihydropyridazin-4-yl)propan-1-one.
What is the SMILES notation for 1-(1,6-dihydropyridazin-4-yl)propan-1-one?
The canonical SMILES for 1-(1,6-dihydropyridazin-4-yl)propan-1-one is CCC(=O)C1=CCNN=C1.
What is the InChIKey of 1-(1,6-dihydropyridazin-4-yl)propan-1-one?
The InChIKey is SZBJSCOEJHLUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-7(10)6-3-4-8-9-5-6/h3,5,8H,2,4H2,1H3.
What are the key properties of 1-(1,6-dihydropyridazin-4-yl)propan-1-one?
1-(1,6-dihydropyridazin-4-yl)propan-1-one has a molecular weight of 138.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dihydropyridazin-4-yl)propan-1-one is sourced from PubChem (CID 135193854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).