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

C8H13N3O2 — CID 103218540

IUPAC2-(3-hydroxypropyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCCO)c(=O)c1
InChIInChI=1S/C8H13N3O2/c1-9-7-5-8(13)11(10-6-7)3-2-4-12/h5-6,9,12H,2-4H2,1H3
InChIKeyGWATUJADZBBWSU-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.33
Rot. Bonds4

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

2-(3-hydroxypropyl)-5-(methylamino)pyridazin-3-one (PubChem CID 103218540) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-5-(methylamino)pyridazin-3-one
PubChem CID103218540
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(3-hydroxypropyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCCO)c(=O)c1
InChIInChI=1S/C8H13N3O2/c1-9-7-5-8(13)11(10-6-7)3-2-4-12/h5-6,9,12H,2-4H2,1H3
InChIKeyGWATUJADZBBWSU-UHFFFAOYSA-N
XLogP-0.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-5-(methylamino)pyridazin-3-one (CID 103218540) is 2-(3-hydroxypropyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-5-(methylamino)pyridazin-3-one is CNc1cnn(CCCO)c(=O)c1.
What is the InChIKey of 2-(3-hydroxypropyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is GWATUJADZBBWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-7-5-8(13)11(10-6-7)3-2-4-12/h5-6,9,12H,2-4H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-5-(methylamino)pyridazin-3-one?
2-(3-hydroxypropyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 183.21 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).