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

C11H19N3O3 — CID 103861422

IUPACN-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(CO)CCCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H19N3O3/c1-8(7-15)3-2-6-12-11(17)9-4-5-10(16)14-13-9/h8,15H,2-7H2,1H3,(H,12,17)(H,14,16)
InChIKeyWNVZJUCLLVAPMI-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.22
Rot. Bonds6

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

N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 103861422) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID103861422
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(CO)CCCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H19N3O3/c1-8(7-15)3-2-6-12-11(17)9-4-5-10(16)14-13-9/h8,15H,2-7H2,1H3,(H,12,17)(H,14,16)
InChIKeyWNVZJUCLLVAPMI-UHFFFAOYSA-N
XLogP-0.22
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61245724
N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103801118
N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43398155
N-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115410093
N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115569713
N-(2-cyclopentylethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60734317
N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 54968046
N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115636652
6-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60651329
N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 79395899
N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115665075
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 103861422) is N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(CO)CCCNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is WNVZJUCLLVAPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8(7-15)3-2-6-12-11(17)9-4-5-10(16)14-13-9/h8,15H,2-7H2,1H3,(H,12,17)(H,14,16).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103861422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).