4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one

C12H19N3O — CID 116974034

IUPAC4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one
SMILESCCCc1ccc(N(C)CCC(C)=O)nn1
InChIInChI=1S/C12H19N3O/c1-4-5-11-6-7-12(14-13-11)15(3)9-8-10(2)16/h6-7H,4-5,8-9H2,1-3H3
InChIKeyYLLWFYSUMUAIBL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.84
Rot. Bonds6

About 4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one

4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one (PubChem CID 116974034) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one.

Molecular Properties

Compound Name4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one
PubChem CID116974034
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one
SMILESCCCc1ccc(N(C)CCC(C)=O)nn1
InChIInChI=1S/C12H19N3O/c1-4-5-11-6-7-12(14-13-11)15(3)9-8-10(2)16/h6-7H,4-5,8-9H2,1-3H3
InChIKeyYLLWFYSUMUAIBL-UHFFFAOYSA-N
XLogP1.84
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one?
The IUPAC name of 4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one (CID 116974034) is 4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one.
What is the SMILES notation for 4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one?
The canonical SMILES for 4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one is CCCc1ccc(N(C)CCC(C)=O)nn1.
What is the InChIKey of 4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one?
The InChIKey is YLLWFYSUMUAIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-5-11-6-7-12(14-13-11)15(3)9-8-10(2)16/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of 4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one?
4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(6-propylpyridazin-3-yl)amino]butan-2-one is sourced from PubChem (CID 116974034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).