2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one

C9H15N3O2 — CID 106548637

IUPAC2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one
SMILESCNCC(O)Cn1ncc(C)cc1=O
InChIInChI=1S/C9H15N3O2/c1-7-3-9(14)12(11-4-7)6-8(13)5-10-2/h3-4,8,10,13H,5-6H2,1-2H3
InChIKeyDRUNIAZRZBWEJR-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.87
Rot. Bonds4

About 2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one

2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one (PubChem CID 106548637) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one
PubChem CID106548637
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one
SMILESCNCC(O)Cn1ncc(C)cc1=O
InChIInChI=1S/C9H15N3O2/c1-7-3-9(14)12(11-4-7)6-8(13)5-10-2/h3-4,8,10,13H,5-6H2,1-2H3
InChIKeyDRUNIAZRZBWEJR-UHFFFAOYSA-N
XLogP-0.87
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one (CID 106548637) is 2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one is CNCC(O)Cn1ncc(C)cc1=O.
What is the InChIKey of 2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one?
The InChIKey is DRUNIAZRZBWEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-3-9(14)12(11-4-7)6-8(13)5-10-2/h3-4,8,10,13H,5-6H2,1-2H3.
What are the key properties of 2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one?
2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).