2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one

C10H17N3O2 — CID 62848902

IUPAC2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one
SMILESCCCNCC(O)Cn1ncccc1=O
InChIInChI=1S/C10H17N3O2/c1-2-5-11-7-9(14)8-13-10(15)4-3-6-12-13/h3-4,6,9,11,14H,2,5,7-8H2,1H3
InChIKeyUGXQUQNKBXXVHT-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.40
Rot. Bonds6

About 2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one

2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one (PubChem CID 62848902) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one
PubChem CID62848902
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one
SMILESCCCNCC(O)Cn1ncccc1=O
InChIInChI=1S/C10H17N3O2/c1-2-5-11-7-9(14)8-13-10(15)4-3-6-12-13/h3-4,6,9,11,14H,2,5,7-8H2,1H3
InChIKeyUGXQUQNKBXXVHT-UHFFFAOYSA-N
XLogP-0.40
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.40
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

2-(2-Hydroxybutyl)pyridazin-3-one
CID 62849611
N-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 43418474
2-[2-Hydroxy-3-(methylamino)propyl]pyridazin-3-one
CID 62848729
2-[3-(Cyclopropylamino)-2-hydroxypropyl]pyridazin-3-one
CID 62848730
2-[3-(Ethylamino)-2-hydroxypropyl]pyridazin-3-one
CID 62848900
2-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 62848901
2-(3-Amino-2-hydroxypropyl)pyridazin-3-one
CID 62848903
2-[2-(3-Propan-2-yloxypropylamino)ethyl]pyridazin-3-one
CID 62848920
N-(2-hydroxyethyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62849434
2-(2-Hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 62849436
2-[3-(2-Methoxyethylamino)propyl]pyridazin-3-one
CID 62849446
2-[3-(Propylamino)propyl]pyridazin-3-one
CID 62849790

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one?
The IUPAC name of 2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one (CID 62848902) is 2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one is CCCNCC(O)Cn1ncccc1=O.
What is the InChIKey of 2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one?
The InChIKey is UGXQUQNKBXXVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-5-11-7-9(14)8-13-10(15)4-3-6-12-13/h3-4,6,9,11,14H,2,5,7-8H2,1H3.
What are the key properties of 2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one?
2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(propylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 62848902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).