1-(3-phenylpyridazin-4-yl)ethanone

C12H10N2O — CID 141043364

IUPAC1-(3-phenylpyridazin-4-yl)ethanone
SMILESCC(=O)c1ccnnc1-c1ccccc1
InChIInChI=1S/C12H10N2O/c1-9(15)11-7-8-13-14-12(11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyKMXJIHCSYQMTMT-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.35
Rot. Bonds2

About 1-(3-phenylpyridazin-4-yl)ethanone

1-(3-phenylpyridazin-4-yl)ethanone (PubChem CID 141043364) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(3-phenylpyridazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-phenylpyridazin-4-yl)ethanone
PubChem CID141043364
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name1-(3-phenylpyridazin-4-yl)ethanone
SMILESCC(=O)c1ccnnc1-c1ccccc1
InChIInChI=1S/C12H10N2O/c1-9(15)11-7-8-13-14-12(11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyKMXJIHCSYQMTMT-UHFFFAOYSA-N
XLogP2.35
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpyridazin-4-yl)ethanone?
The IUPAC name of 1-(3-phenylpyridazin-4-yl)ethanone (CID 141043364) is 1-(3-phenylpyridazin-4-yl)ethanone.
What is the SMILES notation for 1-(3-phenylpyridazin-4-yl)ethanone?
The canonical SMILES for 1-(3-phenylpyridazin-4-yl)ethanone is CC(=O)c1ccnnc1-c1ccccc1.
What is the InChIKey of 1-(3-phenylpyridazin-4-yl)ethanone?
The InChIKey is KMXJIHCSYQMTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-9(15)11-7-8-13-14-12(11)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 1-(3-phenylpyridazin-4-yl)ethanone?
1-(3-phenylpyridazin-4-yl)ethanone has a molecular weight of 198.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpyridazin-4-yl)ethanone is sourced from PubChem (CID 141043364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).