2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one

C11H19N3O2 — CID 103221651

IUPAC2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one
SMILESCC(C)CNc1cnn(CC(C)O)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-8(2)5-12-10-4-11(16)14(13-6-10)7-9(3)15/h4,6,8-9,12,15H,5,7H2,1-3H3
InChIKeyCKDSDGDPPOAWAB-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.69
Rot. Bonds5

About 2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one

2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one (PubChem CID 103221651) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one
PubChem CID103221651
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one
SMILESCC(C)CNc1cnn(CC(C)O)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-8(2)5-12-10-4-11(16)14(13-6-10)7-9(3)15/h4,6,8-9,12,15H,5,7H2,1-3H3
InChIKeyCKDSDGDPPOAWAB-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one?
The IUPAC name of 2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one (CID 103221651) is 2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one is CC(C)CNc1cnn(CC(C)O)c(=O)c1.
What is the InChIKey of 2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one?
The InChIKey is CKDSDGDPPOAWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)5-12-10-4-11(16)14(13-6-10)7-9(3)15/h4,6,8-9,12,15H,5,7H2,1-3H3.
What are the key properties of 2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one?
2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-5-(2-methylpropylamino)pyridazin-3-one is sourced from PubChem (CID 103221651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).