2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

C11H19N3O3 — CID 55168532

IUPAC2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCCNCC(O)Cn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C11H19N3O3/c1-4-12-5-9(15)6-14-11(17)8(3)7(2)10(16)13-14/h9,12,15H,4-6H2,1-3H3,(H,13,16)
InChIKeyIKOQRIOVIPPXKW-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.88
Rot. Bonds5

About 2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 55168532) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID55168532
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCCNCC(O)Cn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C11H19N3O3/c1-4-12-5-9(15)6-14-11(17)8(3)7(2)10(16)13-14/h9,12,15H,4-6H2,1-3H3,(H,13,16)
InChIKeyIKOQRIOVIPPXKW-UHFFFAOYSA-N
XLogP-0.88
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 55168532) is 2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is CCNCC(O)Cn1[nH]c(=O)c(C)c(C)c1=O.
What is the InChIKey of 2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is IKOQRIOVIPPXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-12-5-9(15)6-14-11(17)8(3)7(2)10(16)13-14/h9,12,15H,4-6H2,1-3H3,(H,13,16).
What are the key properties of 2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 241.29 g/mol, XLogP of -0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 55168532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).