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

C9H15N3O3 — CID 63071391

IUPAC2-(3-amino-2-ethoxypropyl)-1H-pyridazine-3,6-dione
SMILESCCOC(CN)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H15N3O3/c1-2-15-7(5-10)6-12-9(14)4-3-8(13)11-12/h3-4,7H,2,5-6,10H2,1H3,(H,11,13)
InChIKeyAWKVZGVZLWNMSL-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.10
Rot. Bonds5

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

2-(3-amino-2-ethoxypropyl)-1H-pyridazine-3,6-dione (PubChem CID 63071391) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(3-amino-2-ethoxypropyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(3-amino-2-ethoxypropyl)-1H-pyridazine-3,6-dione
PubChem CID63071391
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-(3-amino-2-ethoxypropyl)-1H-pyridazine-3,6-dione
SMILESCCOC(CN)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H15N3O3/c1-2-15-7(5-10)6-12-9(14)4-3-8(13)11-12/h3-4,7H,2,5-6,10H2,1H3,(H,11,13)
InChIKeyAWKVZGVZLWNMSL-UHFFFAOYSA-N
XLogP-1.10
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
CID 23039338
2-(2-methoxyethyl)-1H-pyridazine-3,6-dione
CID 138715540
2-(oxiran-2-ylmethyl)-1H-pyridazine-3,6-dione
CID 16785259
2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione
CID 16793144
2-[(2R)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione
CID 30122873
2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione
CID 30122875
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione
CID 43165956
2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione
CID 43165957
2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
CID 43165958
2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione
CID 43187955
2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 55168529
propan-2-yl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
CID 60730621

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-ethoxypropyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(3-amino-2-ethoxypropyl)-1H-pyridazine-3,6-dione (CID 63071391) is 2-(3-amino-2-ethoxypropyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(3-amino-2-ethoxypropyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(3-amino-2-ethoxypropyl)-1H-pyridazine-3,6-dione is CCOC(CN)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3-amino-2-ethoxypropyl)-1H-pyridazine-3,6-dione?
The InChIKey is AWKVZGVZLWNMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-15-7(5-10)6-12-9(14)4-3-8(13)11-12/h3-4,7H,2,5-6,10H2,1H3,(H,11,13).
What are the key properties of 2-(3-amino-2-ethoxypropyl)-1H-pyridazine-3,6-dione?
2-(3-amino-2-ethoxypropyl)-1H-pyridazine-3,6-dione has a molecular weight of 213.24 g/mol, XLogP of -1.10, 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)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63071391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).