6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one

C15H24N4O2 — CID 96513014

IUPAC6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)ccc1=O
InChIInChI=1S/C15H24N4O2/c1-5-8-19-14(20)7-6-12(16-19)15(21)18-9-11(2)13(10-18)17(3)4/h6-7,11,13H,5,8-10H2,1-4H3/t11-,13+/m1/s1
InChIKeyYMOUOLAQYZTLKQ-YPMHNXCESA-N
MW292.38 g/mol
LogP0.68
Rot. Bonds4

About 6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one

6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one (PubChem CID 96513014) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
PubChem CID96513014
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)ccc1=O
InChIInChI=1S/C15H24N4O2/c1-5-8-19-14(20)7-6-12(16-19)15(21)18-9-11(2)13(10-18)17(3)4/h6-7,11,13H,5,8-10H2,1-4H3/t11-,13+/m1/s1
InChIKeyYMOUOLAQYZTLKQ-YPMHNXCESA-N
XLogP0.68
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one?
The IUPAC name of 6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one (CID 96513014) is 6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)ccc1=O.
What is the InChIKey of 6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one?
The InChIKey is YMOUOLAQYZTLKQ-YPMHNXCESA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-8-19-14(20)7-6-12(16-19)15(21)18-9-11(2)13(10-18)17(3)4/h6-7,11,13H,5,8-10H2,1-4H3/t11-,13+/m1/s1.
What are the key properties of 6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one?
6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one is sourced from PubChem (CID 96513014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).