2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one

C14H21N3O3 — CID 79030504

IUPAC2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCC[C@@H]2CO)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-2-3-9-17-13(19)7-6-12(15-17)14(20)16-8-4-5-11(16)10-18/h6-7,11,18H,2-5,8-10H2,1H3/t11-/m1/s1
InChIKeyWMKBQEOVVXWYLK-LLVKDONJSA-N
MW279.34 g/mol
LogP0.64
Rot. Bonds5

About 2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one

2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one (PubChem CID 79030504) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one
PubChem CID79030504
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCC[C@@H]2CO)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-2-3-9-17-13(19)7-6-12(15-17)14(20)16-8-4-5-11(16)10-18/h6-7,11,18H,2-5,8-10H2,1H3/t11-/m1/s1
InChIKeyWMKBQEOVVXWYLK-LLVKDONJSA-N
XLogP0.64
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 94002531
6-[2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 75431167
2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 56816863
2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
CID 32530099
3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124683832
2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one
CID 51327458
1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 42161985
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797
2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 121066841
2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64604161
6-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 47014760
6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
CID 56822307

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one (CID 79030504) is 2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one is CCCCn1nc(C(=O)N2CCC[C@@H]2CO)ccc1=O.
What is the InChIKey of 2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The InChIKey is WMKBQEOVVXWYLK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-3-9-17-13(19)7-6-12(15-17)14(20)16-8-4-5-11(16)10-18/h6-7,11,18H,2-5,8-10H2,1H3/t11-/m1/s1.
What are the key properties of 2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one?
2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one has a molecular weight of 279.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 79030504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).