2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one

C9H16N4O — CID 114393687

IUPAC2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CCCN)c(=O)c1
InChIInChI=1S/C9H16N4O/c1-12(2)8-6-9(14)13(11-7-8)5-3-4-10/h6-7H,3-5,10H2,1-2H3
InChIKeyAELCKTAYWJNHDL-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.34
Rot. Bonds4

About 2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one

2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one (PubChem CID 114393687) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
PubChem CID114393687
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CCCN)c(=O)c1
InChIInChI=1S/C9H16N4O/c1-12(2)8-6-9(14)13(11-7-8)5-3-4-10/h6-7H,3-5,10H2,1-2H3
InChIKeyAELCKTAYWJNHDL-UHFFFAOYSA-N
XLogP-0.34
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one (CID 114393687) is 2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(CCCN)c(=O)c1.
What is the InChIKey of 2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one?
The InChIKey is AELCKTAYWJNHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12(2)8-6-9(14)13(11-7-8)5-3-4-10/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one?
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one has a molecular weight of 196.25 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 114393687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).