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

C10H17N3O2 — CID 103220298

IUPAC2-(2-hydroxypropyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CC(C)O)c(=O)c1
InChIInChI=1S/C10H17N3O2/c1-3-4-11-9-5-10(15)13(12-6-9)7-8(2)14/h5-6,8,11,14H,3-4,7H2,1-2H3
InChIKeyJIKQEMJXGJJYHN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.45
Rot. Bonds5

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

2-(2-hydroxypropyl)-5-(propylamino)pyridazin-3-one (PubChem CID 103220298) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-5-(propylamino)pyridazin-3-one
PubChem CID103220298
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(2-hydroxypropyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CC(C)O)c(=O)c1
InChIInChI=1S/C10H17N3O2/c1-3-4-11-9-5-10(15)13(12-6-9)7-8(2)14/h5-6,8,11,14H,3-4,7H2,1-2H3
InChIKeyJIKQEMJXGJJYHN-UHFFFAOYSA-N
XLogP0.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.45
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-(propylamino)pyridazin-3-one?
The IUPAC name of 2-(2-hydroxypropyl)-5-(propylamino)pyridazin-3-one (CID 103220298) is 2-(2-hydroxypropyl)-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxypropyl)-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxypropyl)-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CC(C)O)c(=O)c1.
What is the InChIKey of 2-(2-hydroxypropyl)-5-(propylamino)pyridazin-3-one?
The InChIKey is JIKQEMJXGJJYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-4-11-9-5-10(15)13(12-6-9)7-8(2)14/h5-6,8,11,14H,3-4,7H2,1-2H3.
What are the key properties of 2-(2-hydroxypropyl)-5-(propylamino)pyridazin-3-one?
2-(2-hydroxypropyl)-5-(propylamino)pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.45, 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-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).