2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one

C9H16N4O2 — CID 114395440

IUPAC2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC(O)CN)c(=O)c1
InChIInChI=1S/C9H16N4O2/c1-12(2)7-3-9(15)13(11-5-7)6-8(14)4-10/h3,5,8,14H,4,6,10H2,1-2H3
InChIKeyVNGPHXSIBZZNQN-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.37
Rot. Bonds4

About 2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one

2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one (PubChem CID 114395440) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
PubChem CID114395440
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC(O)CN)c(=O)c1
InChIInChI=1S/C9H16N4O2/c1-12(2)7-3-9(15)13(11-5-7)6-8(14)4-10/h3,5,8,14H,4,6,10H2,1-2H3
InChIKeyVNGPHXSIBZZNQN-UHFFFAOYSA-N
XLogP-1.37
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967
2-(2-cyclopropyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
CID 114397069
2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one
CID 114394227
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397148
2-(3-chloro-2-hydroxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394399
5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one
CID 114396794
2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114394568
2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393747
5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one
CID 107506433
2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393779
2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393745

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one (CID 114395440) is 2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(CC(O)CN)c(=O)c1.
What is the InChIKey of 2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one?
The InChIKey is VNGPHXSIBZZNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-12(2)7-3-9(15)13(11-5-7)6-8(14)4-10/h3,5,8,14H,4,6,10H2,1-2H3.
What are the key properties of 2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one?
2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one has a molecular weight of 212.25 g/mol, XLogP of -1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 114395440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).