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

C7H10N2O2 — CID 103935360

IUPAC2-[(2S)-2-hydroxypropyl]pyridazin-3-one
SMILESC[C@H](O)Cn1ncccc1=O
InChIInChI=1S/C7H10N2O2/c1-6(10)5-9-7(11)3-2-4-8-9/h2-4,6,10H,5H2,1H3/t6-/m0/s1
InChIKeyZCFAESXIPXYADU-LURJTMIESA-N
MW154.17 g/mol
LogP-0.38
Rot. Bonds2

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

2-[(2S)-2-hydroxypropyl]pyridazin-3-one (PubChem CID 103935360) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxypropyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(2S)-2-hydroxypropyl]pyridazin-3-one
PubChem CID103935360
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-[(2S)-2-hydroxypropyl]pyridazin-3-one
SMILESC[C@H](O)Cn1ncccc1=O
InChIInChI=1S/C7H10N2O2/c1-6(10)5-9-7(11)3-2-4-8-9/h2-4,6,10H,5H2,1H3/t6-/m0/s1
InChIKeyZCFAESXIPXYADU-LURJTMIESA-N
XLogP-0.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Hydroxyethyl)-3-pyridazone
CID 12554429
2-(3-Fluoro-2-hydroxypropyl)-5-methyl-2,3-dihydropyridazin-3-one
CID 165595267
2-(3-Fluoro-2-hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 165748136
2-(Oxiran-2-ylmethyl)pyridazin-3-one
CID 62849071
2-(3-Hydroxypropyl)pyridazin-3-one
CID 62849435
2-(2-Hydroxybutyl)pyridazin-3-one
CID 62849611
2-(2-Hydroxy-3-methoxypropyl)pyridazin-3-one
CID 91026591
2-(2-Methoxyethyl)pyridazin-3-one
CID 91288626
2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
CID 123747839
2-[(2S)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
CID 141267631
N-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide
CID 143260716
2-(1-Hydroxypropyl)pyridazin-3-one
CID 174258046

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxypropyl]pyridazin-3-one?
The IUPAC name of 2-[(2S)-2-hydroxypropyl]pyridazin-3-one (CID 103935360) is 2-[(2S)-2-hydroxypropyl]pyridazin-3-one.
What is the SMILES notation for 2-[(2S)-2-hydroxypropyl]pyridazin-3-one?
The canonical SMILES for 2-[(2S)-2-hydroxypropyl]pyridazin-3-one is C[C@H](O)Cn1ncccc1=O.
What is the InChIKey of 2-[(2S)-2-hydroxypropyl]pyridazin-3-one?
The InChIKey is ZCFAESXIPXYADU-LURJTMIESA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6(10)5-9-7(11)3-2-4-8-9/h2-4,6,10H,5H2,1H3/t6-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxypropyl]pyridazin-3-one?
2-[(2S)-2-hydroxypropyl]pyridazin-3-one has a molecular weight of 154.17 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxypropyl]pyridazin-3-one is sourced from PubChem (CID 103935360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).