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

C7H11N3O2 — CID 103218258

IUPAC5-amino-2-(3-hydroxypropyl)pyridazin-3-one
SMILESNc1cnn(CCCO)c(=O)c1
InChIInChI=1S/C7H11N3O2/c8-6-4-7(12)10(9-5-6)2-1-3-11/h4-5,11H,1-3,8H2
InChIKeyDNPVTKUJOKBTKK-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.79
Rot. Bonds3

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

5-amino-2-(3-hydroxypropyl)pyridazin-3-one (PubChem CID 103218258) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-amino-2-(3-hydroxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(3-hydroxypropyl)pyridazin-3-one
PubChem CID103218258
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-amino-2-(3-hydroxypropyl)pyridazin-3-one
SMILESNc1cnn(CCCO)c(=O)c1
InChIInChI=1S/C7H11N3O2/c8-6-4-7(12)10(9-5-6)2-1-3-11/h4-5,11H,1-3,8H2
InChIKeyDNPVTKUJOKBTKK-UHFFFAOYSA-N
XLogP-0.79
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-hydroxypropyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(3-hydroxypropyl)pyridazin-3-one (CID 103218258) is 5-amino-2-(3-hydroxypropyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(3-hydroxypropyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(3-hydroxypropyl)pyridazin-3-one is Nc1cnn(CCCO)c(=O)c1.
What is the InChIKey of 5-amino-2-(3-hydroxypropyl)pyridazin-3-one?
The InChIKey is DNPVTKUJOKBTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-6-4-7(12)10(9-5-6)2-1-3-11/h4-5,11H,1-3,8H2.
What are the key properties of 5-amino-2-(3-hydroxypropyl)pyridazin-3-one?
5-amino-2-(3-hydroxypropyl)pyridazin-3-one has a molecular weight of 169.18 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-hydroxypropyl)pyridazin-3-one is sourced from PubChem (CID 103218258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).