2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one

C11H19N3O2 — CID 62923560

IUPAC2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(O)CNC(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)12-6-10(15)7-14-11(16)5-4-9(3)13-14/h4-5,8,10,12,15H,6-7H2,1-3H3
InChIKeyREJMQRBGYBWMMD-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.09
Rot. Bonds5

About 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one

2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one (PubChem CID 62923560) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one
PubChem CID62923560
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(O)CNC(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)12-6-10(15)7-14-11(16)5-4-9(3)13-14/h4-5,8,10,12,15H,6-7H2,1-3H3
InChIKeyREJMQRBGYBWMMD-UHFFFAOYSA-N
XLogP-0.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
1-butyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723041
6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723263
1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723317
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103769738
N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 103769855
1-butyl-N-(3,3-difluoro-2-hydroxypropyl)-6-oxopyridazine-3-carboxamide
CID 103769860
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 103769978
N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103770479
6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide
CID 113248465
1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 113248480
6-Methyl-2-{4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl}-2,3-dihydropyridazin-3-one
CID 126934864

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one (CID 62923560) is 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC(O)CNC(C)C)n1.
What is the InChIKey of 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one?
The InChIKey is REJMQRBGYBWMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)12-6-10(15)7-14-11(16)5-4-9(3)13-14/h4-5,8,10,12,15H,6-7H2,1-3H3.
What are the key properties of 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one?
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 62923560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).