N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H19N3O3 — CID 61245724

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H19N3O3/c1-7(2)5-8(6-15)12-11(17)9-3-4-10(16)14-13-9/h7-8,15H,3-6H2,1-2H3,(H,12,17)(H,14,16)
InChIKeyZCUZHIHUXDHMCF-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.22
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 61245724) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID61245724
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H19N3O3/c1-7(2)5-8(6-15)12-11(17)9-3-4-10(16)14-13-9/h7-8,15H,3-6H2,1-2H3,(H,12,17)(H,14,16)
InChIKeyZCUZHIHUXDHMCF-UHFFFAOYSA-N
XLogP-0.22
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60776217
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 107861371
N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 63260416
N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 54968046
(2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 104964357
N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 56707272
N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 62652057
N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103801118
N-(2-cyclopentylethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60734317
N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 64555831
N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60737083
N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide
CID 61245282

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 61245724) is N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(C)CC(CO)NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is ZCUZHIHUXDHMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)5-8(6-15)12-11(17)9-3-4-10(16)14-13-9/h7-8,15H,3-6H2,1-2H3,(H,12,17)(H,14,16).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 61245724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).