3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C12H20N4O3 — CID 66053907

IUPAC3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCN(C)CC1CC(O)CN1C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H20N4O3/c1-15(2)6-8-5-9(17)7-16(8)12(19)10-3-4-11(18)14-13-10/h8-9,17H,3-7H2,1-2H3,(H,14,18)
InChIKeyJMNUDSMSKYDZQG-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.22
Rot. Bonds3

About 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 66053907) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID66053907
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCN(C)CC1CC(O)CN1C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H20N4O3/c1-15(2)6-8-5-9(17)7-16(8)12(19)10-3-4-11(18)14-13-10/h8-9,17H,3-7H2,1-2H3,(H,14,18)
InChIKeyJMNUDSMSKYDZQG-UHFFFAOYSA-N
XLogP-1.22
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 66053907) is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is CN(C)CC1CC(O)CN1C(=O)C1=NNC(=O)CC1.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is JMNUDSMSKYDZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-15(2)6-8-5-9(17)7-16(8)12(19)10-3-4-11(18)14-13-10/h8-9,17H,3-7H2,1-2H3,(H,14,18).
What are the key properties of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 268.32 g/mol, XLogP of -1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 66053907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).