3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one

C10H16N4O — CID 121205938

IUPAC3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one
SMILESCN1CCC(Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C10H16N4O/c1-14-6-4-8(5-7-14)11-9-2-3-10(15)13-12-9/h2-3,8H,4-7H2,1H3,(H,11,12)(H,13,15)
InChIKeyQAIQGLQWFBWAJI-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.28
Rot. Bonds2

About 3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one

3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one (PubChem CID 121205938) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one
PubChem CID121205938
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one
SMILESCN1CCC(Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C10H16N4O/c1-14-6-4-8(5-7-14)11-9-2-3-10(15)13-12-9/h2-3,8H,4-7H2,1H3,(H,11,12)(H,13,15)
InChIKeyQAIQGLQWFBWAJI-UHFFFAOYSA-N
XLogP0.28
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one (CID 121205938) is 3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one is CN1CCC(Nc2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one?
The InChIKey is QAIQGLQWFBWAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-6-4-8(5-7-14)11-9-2-3-10(15)13-12-9/h2-3,8H,4-7H2,1H3,(H,11,12)(H,13,15).
What are the key properties of 3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one?
3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 121205938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).