2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one

C12H21N3O2 — CID 103219298

IUPAC2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CCCCCO)c(=O)c1
InChIInChI=1S/C12H21N3O2/c1-10(2)14-11-8-12(17)15(13-9-11)6-4-3-5-7-16/h8-10,14,16H,3-7H2,1-2H3
InChIKeyBEXZCYSZEMPLRB-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.23
Rot. Bonds7

About 2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one

2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219298) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219298
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CCCCCO)c(=O)c1
InChIInChI=1S/C12H21N3O2/c1-10(2)14-11-8-12(17)15(13-9-11)6-4-3-5-7-16/h8-10,14,16H,3-7H2,1-2H3
InChIKeyBEXZCYSZEMPLRB-UHFFFAOYSA-N
XLogP1.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-2-(4-hydroxybutyl)pyridazin-3-one
CID 10012594
2-(4-Hydroxybutyl)-5-(methylamino)pyridazin-3-one
CID 10352676
5-Amino-2-(5-hydroxypentyl)pyridazin-3-one
CID 103218192
2-(5-Hydroxypentyl)-5-(methylamino)pyridazin-3-one
CID 103218470
2-(3-Hydroxypropyl)-5-(methylamino)pyridazin-3-one
CID 103218540
5-(Ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one
CID 103218862
5-(Ethylamino)-2-(3-hydroxypropyl)pyridazin-3-one
CID 103218955
5-(Ethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103219042
5-(Ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one
CID 103219069
2-(4-Methoxybutyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219312
2-(3-Hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219396
2-(3-Hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219473

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one (CID 103219298) is 2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one is CC(C)Nc1cnn(CCCCCO)c(=O)c1.
What is the InChIKey of 2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is BEXZCYSZEMPLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(2)14-11-8-12(17)15(13-9-11)6-4-3-5-7-16/h8-10,14,16H,3-7H2,1-2H3.
What are the key properties of 2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one?
2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).