5-(methylamino)-2-pentylpyridazin-3-one

C10H17N3O — CID 103218631

IUPAC5-(methylamino)-2-pentylpyridazin-3-one
SMILESCCCCCn1ncc(NC)cc1=O
InChIInChI=1S/C10H17N3O/c1-3-4-5-6-13-10(14)7-9(11-2)8-12-13/h7-8,11H,3-6H2,1-2H3
InChIKeyKATRJJZNZZXJDT-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.48
Rot. Bonds5

About 5-(methylamino)-2-pentylpyridazin-3-one

5-(methylamino)-2-pentylpyridazin-3-one (PubChem CID 103218631) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(methylamino)-2-pentylpyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-pentylpyridazin-3-one
PubChem CID103218631
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(methylamino)-2-pentylpyridazin-3-one
SMILESCCCCCn1ncc(NC)cc1=O
InChIInChI=1S/C10H17N3O/c1-3-4-5-6-13-10(14)7-9(11-2)8-12-13/h7-8,11H,3-6H2,1-2H3
InChIKeyKATRJJZNZZXJDT-UHFFFAOYSA-N
XLogP1.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
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-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]pentanamide
CID 91924039
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924062
2-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 110876544
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
CID 110876546
N-[1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 110876547
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-methylpropanamide
CID 110876550
N~1~-[1-(1-Ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide
CID 110876551
4-(5,5,5-trifluoropentylamino)-1H-pyridazin-6-one
CID 114392392
5-[3-Diethylaminopropylamino]-3(2H)-pyridazone
CID 559590
5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
2-Chloro-5-(propylamino)pyridazin-3-one
CID 87370947
4-(4-methylpentylamino)-1H-pyridazin-6-one
CID 114392023

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-pentylpyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-pentylpyridazin-3-one (CID 103218631) is 5-(methylamino)-2-pentylpyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-pentylpyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-pentylpyridazin-3-one is CCCCCn1ncc(NC)cc1=O.
What is the InChIKey of 5-(methylamino)-2-pentylpyridazin-3-one?
The InChIKey is KATRJJZNZZXJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-5-6-13-10(14)7-9(11-2)8-12-13/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 5-(methylamino)-2-pentylpyridazin-3-one?
5-(methylamino)-2-pentylpyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-pentylpyridazin-3-one is sourced from PubChem (CID 103218631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).