2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one

C10H18N4O3 — CID 103223640

IUPAC2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one
SMILESCNCCNc1cnn(CC(O)CO)c(=O)c1
InChIInChI=1S/C10H18N4O3/c1-11-2-3-12-8-4-10(17)14(13-5-8)6-9(16)7-15/h4-5,9,11-12,15-16H,2-3,6-7H2,1H3
InChIKeyNLCXCUDNCIZTFR-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.77
Rot. Bonds7

About 2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one

2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one (PubChem CID 103223640) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one
PubChem CID103223640
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one
SMILESCNCCNc1cnn(CC(O)CO)c(=O)c1
InChIInChI=1S/C10H18N4O3/c1-11-2-3-12-8-4-10(17)14(13-5-8)6-9(16)7-15/h4-5,9,11-12,15-16H,2-3,6-7H2,1H3
InChIKeyNLCXCUDNCIZTFR-UHFFFAOYSA-N
XLogP-1.77
TPSA99.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one?
The IUPAC name of 2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one (CID 103223640) is 2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one?
The canonical SMILES for 2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one is CNCCNc1cnn(CC(O)CO)c(=O)c1.
What is the InChIKey of 2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one?
The InChIKey is NLCXCUDNCIZTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-11-2-3-12-8-4-10(17)14(13-5-8)6-9(16)7-15/h4-5,9,11-12,15-16H,2-3,6-7H2,1H3.
What are the key properties of 2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one?
2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one has a molecular weight of 242.28 g/mol, XLogP of -1.77, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one is sourced from PubChem (CID 103223640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).