1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one

C15H17N3O — CID 116972087

IUPAC1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one
SMILESCCc1ccc(-c2ccc(NCC(C)=O)nn2)cc1
InChIInChI=1S/C15H17N3O/c1-3-12-4-6-13(7-5-12)14-8-9-15(18-17-14)16-10-11(2)19/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyBDVGTGPSQSRGEI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.71
Rot. Bonds5

About 1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one

1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one (PubChem CID 116972087) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one
PubChem CID116972087
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one
SMILESCCc1ccc(-c2ccc(NCC(C)=O)nn2)cc1
InChIInChI=1S/C15H17N3O/c1-3-12-4-6-13(7-5-12)14-8-9-15(18-17-14)16-10-11(2)19/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyBDVGTGPSQSRGEI-UHFFFAOYSA-N
XLogP2.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one?
The IUPAC name of 1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one (CID 116972087) is 1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one.
What is the SMILES notation for 1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one?
The canonical SMILES for 1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one is CCc1ccc(-c2ccc(NCC(C)=O)nn2)cc1.
What is the InChIKey of 1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one?
The InChIKey is BDVGTGPSQSRGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-12-4-6-13(7-5-12)14-8-9-15(18-17-14)16-10-11(2)19/h4-9H,3,10H2,1-2H3,(H,16,18).
What are the key properties of 1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one?
1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one is sourced from PubChem (CID 116972087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).