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

C13H20N4O — CID 116972135

IUPAC1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one
SMILESCC(=O)CNc1ccc(C2CCCN(C)C2)nn1
InChIInChI=1S/C13H20N4O/c1-10(18)8-14-13-6-5-12(15-16-13)11-4-3-7-17(2)9-11/h5-6,11H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeyIMYLRVUTEFFHME-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.29
Rot. Bonds4

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

1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one (PubChem CID 116972135) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one
PubChem CID116972135
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one
SMILESCC(=O)CNc1ccc(C2CCCN(C)C2)nn1
InChIInChI=1S/C13H20N4O/c1-10(18)8-14-13-6-5-12(15-16-13)11-4-3-7-17(2)9-11/h5-6,11H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeyIMYLRVUTEFFHME-UHFFFAOYSA-N
XLogP1.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N'-[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]propane-1,3-diamine
CID 116970815
1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one
CID 116974030
N-ethyl-6-(1-methylpiperidin-4-yl)pyridazin-3-amine
CID 116973215
N-(2-amino-2-oxoethyl)-3-[6-(1-methylpiperidin-3-yl)-2-pyridinyl]propanamide
CID 110258164
N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide
CID 129135995
3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 95804855
2-(1-methylpiperidin-3-yl)-5-(piperidin-1-ylmethyl)pyridine
CID 172524114
[4-[6-(1-methylpiperidin-3-yl)-3-pyridinyl]phenyl]methanol
CID 110257480
acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 171687261
6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine
CID 117105593
3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid
CID 95804870
N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide
CID 123960085

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one?
The IUPAC name of 1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one (CID 116972135) is 1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one.
What is the SMILES notation for 1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one?
The canonical SMILES for 1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one is CC(=O)CNc1ccc(C2CCCN(C)C2)nn1.
What is the InChIKey of 1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one?
The InChIKey is IMYLRVUTEFFHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(18)8-14-13-6-5-12(15-16-13)11-4-3-7-17(2)9-11/h5-6,11H,3-4,7-9H2,1-2H3,(H,14,16).
What are the key properties of 1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one?
1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]amino]propan-2-one is sourced from PubChem (CID 116972135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).