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

C10H16N4O — CID 117105183

IUPAC5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one
SMILESCN1CCC(c2cc(N)c(=O)[nH]n2)CC1
InChIInChI=1S/C10H16N4O/c1-14-4-2-7(3-5-14)9-6-8(11)10(15)13-12-9/h6-7H,2-5H2,1H3,(H2,11,12)(H,13,15)
InChIKeyVMEQLVHBQJTYLM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.16
Rot. Bonds1

About 5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one

5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one (PubChem CID 117105183) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one
PubChem CID117105183
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one
SMILESCN1CCC(c2cc(N)c(=O)[nH]n2)CC1
InChIInChI=1S/C10H16N4O/c1-14-4-2-7(3-5-14)9-6-8(11)10(15)13-12-9/h6-7H,2-5H2,1H3,(H2,11,12)(H,13,15)
InChIKeyVMEQLVHBQJTYLM-UHFFFAOYSA-N
XLogP0.16
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one (CID 117105183) is 5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one is CN1CCC(c2cc(N)c(=O)[nH]n2)CC1.
What is the InChIKey of 5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one?
The InChIKey is VMEQLVHBQJTYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-4-2-7(3-5-14)9-6-8(11)10(15)13-12-9/h6-7H,2-5H2,1H3,(H2,11,12)(H,13,15).
What are the key properties of 5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one?
5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 117105183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).