6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one

C13H20N4O3 — CID 66051617

IUPAC6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCN(C)CC1CC(O)CN1C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C13H20N4O3/c1-15(2)7-9-6-10(18)8-17(9)13(20)11-4-5-12(19)16(3)14-11/h4-5,9-10,18H,6-8H2,1-3H3
InChIKeyYYVGSILISXPZDU-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.08
Rot. Bonds3

About 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one

6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 66051617) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID66051617
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCN(C)CC1CC(O)CN1C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C13H20N4O3/c1-15(2)7-9-6-10(18)8-17(9)13(20)11-4-5-12(19)16(3)14-11/h4-5,9-10,18H,6-8H2,1-3H3
InChIKeyYYVGSILISXPZDU-UHFFFAOYSA-N
XLogP-1.08
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one (CID 66051617) is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one is CN(C)CC1CC(O)CN1C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is YYVGSILISXPZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-15(2)7-9-6-10(18)8-17(9)13(20)11-4-5-12(19)16(3)14-11/h4-5,9-10,18H,6-8H2,1-3H3.
What are the key properties of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 280.33 g/mol, XLogP of -1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 66051617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).