5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one

C9H16N4O3 — CID 103221147

IUPAC5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one
SMILESNCCNc1cnn(CC(O)CO)c(=O)c1
InChIInChI=1S/C9H16N4O3/c10-1-2-11-7-3-9(16)13(12-4-7)5-8(15)6-14/h3-4,8,11,14-15H,1-2,5-6,10H2
InChIKeySKKYWSSAYJBXRU-UHFFFAOYSA-N
MW228.25 g/mol
LogP-2.03
Rot. Bonds6

About 5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one

5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one (PubChem CID 103221147) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one
PubChem CID103221147
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one
SMILESNCCNc1cnn(CC(O)CO)c(=O)c1
InChIInChI=1S/C9H16N4O3/c10-1-2-11-7-3-9(16)13(12-4-7)5-8(15)6-14/h3-4,8,11,14-15H,1-2,5-6,10H2
InChIKeySKKYWSSAYJBXRU-UHFFFAOYSA-N
XLogP-2.03
TPSA113.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one (CID 103221147) is 5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one is NCCNc1cnn(CC(O)CO)c(=O)c1.
What is the InChIKey of 5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one?
The InChIKey is SKKYWSSAYJBXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c10-1-2-11-7-3-9(16)13(12-4-7)5-8(15)6-14/h3-4,8,11,14-15H,1-2,5-6,10H2.
What are the key properties of 5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one?
5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one has a molecular weight of 228.25 g/mol, XLogP of -2.03, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-(2,3-dihydroxypropyl)pyridazin-3-one is sourced from PubChem (CID 103221147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).