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

C11H18N4O — CID 117105458

IUPAC5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one
SMILESCN1CCC(Cc2cc(N)c(=O)[nH]n2)CC1
InChIInChI=1S/C11H18N4O/c1-15-4-2-8(3-5-15)6-9-7-10(12)11(16)14-13-9/h7-8H,2-6H2,1H3,(H2,12,13)(H,14,16)
InChIKeyQOBSLGUZVDRNMM-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.24
Rot. Bonds2

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

5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one (PubChem CID 117105458) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one
PubChem CID117105458
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one
SMILESCN1CCC(Cc2cc(N)c(=O)[nH]n2)CC1
InChIInChI=1S/C11H18N4O/c1-15-4-2-8(3-5-15)6-9-7-10(12)11(16)14-13-9/h7-8H,2-6H2,1H3,(H2,12,13)(H,14,16)
InChIKeyQOBSLGUZVDRNMM-UHFFFAOYSA-N
XLogP0.24
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106006
[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazol-5-yl]methanol
CID 115092302
5-amino-3-(bromomethyl)-1H-pyridazin-6-one
CID 177332380
4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine
CID 117105464
5-bromo-3-[(1,1-dioxothian-4-yl)methyl]-1H-pyridazin-6-one
CID 117105429
[2-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridin-7-yl]methanamine
CID 117133868
5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one
CID 117105901
2-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridin-7-amine
CID 117133919
2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine
CID 147281471
5-chloro-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one
CID 117105191
5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106161
5-amino-3-cyclopentyl-1H-pyridazin-6-one
CID 117127183

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one (CID 117105458) is 5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one is CN1CCC(Cc2cc(N)c(=O)[nH]n2)CC1.
What is the InChIKey of 5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one?
The InChIKey is QOBSLGUZVDRNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-4-2-8(3-5-15)6-9-7-10(12)11(16)14-13-9/h7-8H,2-6H2,1H3,(H2,12,13)(H,14,16).
What are the key properties of 5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one?
5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.24, 2 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)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 117105458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).