N-[6-(pentylamino)pyridazin-3-yl]propanamide

C12H20N4O — CID 113044628

IUPACN-[6-(pentylamino)pyridazin-3-yl]propanamide
SMILESCCCCCNc1ccc(NC(=O)CC)nn1
InChIInChI=1S/C12H20N4O/c1-3-5-6-9-13-10-7-8-11(16-15-10)14-12(17)4-2/h7-8H,3-6,9H2,1-2H3,(H,13,15)(H,14,16,17)
InChIKeyXIKWOMGUHDQWEL-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.43
Rot. Bonds7

About N-[6-(pentylamino)pyridazin-3-yl]propanamide

N-[6-(pentylamino)pyridazin-3-yl]propanamide (PubChem CID 113044628) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[6-(pentylamino)pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-(pentylamino)pyridazin-3-yl]propanamide
PubChem CID113044628
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[6-(pentylamino)pyridazin-3-yl]propanamide
SMILESCCCCCNc1ccc(NC(=O)CC)nn1
InChIInChI=1S/C12H20N4O/c1-3-5-6-9-13-10-7-8-11(16-15-10)14-12(17)4-2/h7-8H,3-6,9H2,1-2H3,(H,13,15)(H,14,16,17)
InChIKeyXIKWOMGUHDQWEL-UHFFFAOYSA-N
XLogP2.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide
CID 113044637
N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038313
N-[6-(2-methoxyethylamino)pyridazin-3-yl]propanamide
CID 113039391
2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044681
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044650
N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide
CID 113044700
3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044658
N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113045233
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113038336
N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038324
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364

Frequently Asked Questions

What is the IUPAC name of N-[6-(pentylamino)pyridazin-3-yl]propanamide?
The IUPAC name of N-[6-(pentylamino)pyridazin-3-yl]propanamide (CID 113044628) is N-[6-(pentylamino)pyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-(pentylamino)pyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-(pentylamino)pyridazin-3-yl]propanamide is CCCCCNc1ccc(NC(=O)CC)nn1.
What is the InChIKey of N-[6-(pentylamino)pyridazin-3-yl]propanamide?
The InChIKey is XIKWOMGUHDQWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-5-6-9-13-10-7-8-11(16-15-10)14-12(17)4-2/h7-8H,3-6,9H2,1-2H3,(H,13,15)(H,14,16,17).
What are the key properties of N-[6-(pentylamino)pyridazin-3-yl]propanamide?
N-[6-(pentylamino)pyridazin-3-yl]propanamide has a molecular weight of 236.32 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pentylamino)pyridazin-3-yl]propanamide is sourced from PubChem (CID 113044628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).