2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione

C10H17N3O3 — CID 63070293

IUPAC2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione
SMILESCCOC(CN)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H17N3O3/c1-2-16-8(7-11)5-6-13-10(15)4-3-9(14)12-13/h3-4,8H,2,5-7,11H2,1H3,(H,12,14)
InChIKeyIPKMKQIAWGOKPS-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.71
Rot. Bonds6

About 2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione

2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione (PubChem CID 63070293) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione
PubChem CID63070293
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione
SMILESCCOC(CN)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H17N3O3/c1-2-16-8(7-11)5-6-13-10(15)4-3-9(14)12-13/h3-4,8H,2,5-7,11H2,1H3,(H,12,14)
InChIKeyIPKMKQIAWGOKPS-UHFFFAOYSA-N
XLogP-0.71
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione (CID 63070293) is 2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione is CCOC(CN)CCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione?
The InChIKey is IPKMKQIAWGOKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-2-16-8(7-11)5-6-13-10(15)4-3-9(14)12-13/h3-4,8H,2,5-7,11H2,1H3,(H,12,14).
What are the key properties of 2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione?
2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione has a molecular weight of 227.26 g/mol, XLogP of -0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethoxybutyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63070293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).