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

C15H24N4O2 — CID 96513012

IUPAC6-[(3S,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-DGCLKSJQSA-N
MW292.38 g/mol
LogP0.68
Rot. Bonds4

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

6-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one (PubChem CID 96513012) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
PubChem CID96513012
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name6-[(3S,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-DGCLKSJQSA-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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Related Compounds

6-(4-Acetyl-1,4-diazepane-1-carbonyl)-2-propylpyridazin-3-one
CID 45804023
N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 52564125
6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one
CID 164631142
2-[(1-Methyl-5-oxopyrrolidin-3-yl)methyl]-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 126857487
6-Methyl-2-({1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126927120
N-Tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-1,6-dihydropyridazin-1-YL]acetamide
CID 51695241
2-[2-Oxo-2-(pyrrolidin-1-YL)ethyl]-6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridazin-3-one
CID 51695245
2-[2-(Dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one
CID 142603749
N-[(2R)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38593209
N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38593214
6-(4-acetylpiperazine-1-carbonyl)-2-isopropylpyridazin-3(2H)-one
CID 42161847
6-(4-Acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one
CID 42162031

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one?
The IUPAC name of 6-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one (CID 96513012) is 6-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[(3S,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-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one?
The InChIKey is YMOUOLAQYZTLKQ-DGCLKSJQSA-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-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one?
6-[(3S,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-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one is sourced from PubChem (CID 96513012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).