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

C9H15N3O3 — CID 43165958

IUPAC2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
SMILESCCNCC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H15N3O3/c1-2-10-5-7(13)6-12-9(15)4-3-8(14)11-12/h3-4,7,10,13H,2,5-6H2,1H3,(H,11,14)
InChIKeyINTKYKWUBLRYOP-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.49
Rot. Bonds5

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

2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione (PubChem CID 43165958) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
PubChem CID43165958
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
SMILESCCNCC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H15N3O3/c1-2-10-5-7(13)6-12-9(15)4-3-8(14)11-12/h3-4,7,10,13H,2,5-6H2,1H3,(H,11,14)
InChIKeyINTKYKWUBLRYOP-UHFFFAOYSA-N
XLogP-1.49
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.49
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]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione (CID 43165958) is 2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione is CCNCC(O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
The InChIKey is INTKYKWUBLRYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-10-5-7(13)6-12-9(15)4-3-8(14)11-12/h3-4,7,10,13H,2,5-6H2,1H3,(H,11,14).
What are the key properties of 2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione has a molecular weight of 213.24 g/mol, XLogP of -1.49, 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]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 43165958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).