2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione

C11H19N3O3 — CID 55168529

IUPAC2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCCOC(CN)Cn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C11H19N3O3/c1-4-17-9(5-12)6-14-11(16)8(3)7(2)10(15)13-14/h9H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyXZMFETWFIXQITH-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.48
Rot. Bonds5

About 2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione

2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 55168529) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID55168529
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCCOC(CN)Cn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C11H19N3O3/c1-4-17-9(5-12)6-14-11(16)8(3)7(2)10(15)13-14/h9H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyXZMFETWFIXQITH-UHFFFAOYSA-N
XLogP-0.48
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 55168529) is 2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is CCOC(CN)Cn1[nH]c(=O)c(C)c(C)c1=O.
What is the InChIKey of 2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is XZMFETWFIXQITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-17-9(5-12)6-14-11(16)8(3)7(2)10(15)13-14/h9H,4-6,12H2,1-3H3,(H,13,15).
What are the key properties of 2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 241.29 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 55168529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).