2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one

C7H11N3O2 — CID 94881462

IUPAC2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one
SMILESNC[C@H](O)Cn1ncccc1=O
InChIInChI=1S/C7H11N3O2/c8-4-6(11)5-10-7(12)2-1-3-9-10/h1-3,6,11H,4-5,8H2/t6-/m0/s1
InChIKeySEKAGLPTRZHCSM-LURJTMIESA-N
MW169.18 g/mol
LogP-1.44
Rot. Bonds3

About 2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one

2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one (PubChem CID 94881462) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one
PubChem CID94881462
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one
SMILESNC[C@H](O)Cn1ncccc1=O
InChIInChI=1S/C7H11N3O2/c8-4-6(11)5-10-7(12)2-1-3-9-10/h1-3,6,11H,4-5,8H2/t6-/m0/s1
InChIKeySEKAGLPTRZHCSM-LURJTMIESA-N
XLogP-1.44
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Hydroxyethyl)-3-pyridazone
CID 12554429
2-(3-Fluoro-2-hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 165748136
2-(2-Hydroxybutyl)pyridazin-3-one
CID 62849611
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-[2-Hydroxy-3-(propylamino)propyl]pyridazin-3-one
CID 62848902
2-(3-Amino-2-hydroxypropyl)pyridazin-3-one
CID 62848903
N-(2-hydroxyethyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62849434
2-(2-Hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 62849436
2-(3-Amino-2-ethoxypropyl)pyridazin-3-one
CID 63072355

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one?
The IUPAC name of 2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one (CID 94881462) is 2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one.
What is the SMILES notation for 2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one?
The canonical SMILES for 2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one is NC[C@H](O)Cn1ncccc1=O.
What is the InChIKey of 2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one?
The InChIKey is SEKAGLPTRZHCSM-LURJTMIESA-N. The full InChI is InChI=1S/C7H11N3O2/c8-4-6(11)5-10-7(12)2-1-3-9-10/h1-3,6,11H,4-5,8H2/t6-/m0/s1.
What are the key properties of 2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one?
2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one has a molecular weight of 169.18 g/mol, XLogP of -1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-amino-2-hydroxypropyl]pyridazin-3-one is sourced from PubChem (CID 94881462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).