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

C8H13N3O2 — CID 61387020

IUPAC2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione
SMILESCCNCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H13N3O2/c1-2-9-5-6-11-8(13)4-3-7(12)10-11/h3-4,9H,2,5-6H2,1H3,(H,10,12)
InChIKeyGZTKFYPUVLAWNR-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.85
Rot. Bonds4

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

2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione (PubChem CID 61387020) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione
PubChem CID61387020
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione
SMILESCCNCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H13N3O2/c1-2-9-5-6-11-8(13)4-3-7(12)10-11/h3-4,9H,2,5-6H2,1H3,(H,10,12)
InChIKeyGZTKFYPUVLAWNR-UHFFFAOYSA-N
XLogP-0.85
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
Bis(aminoethylamino) ethyl maleamide
CID 129826976
Einecs 265-780-9
CID 6455141
Einecs 253-082-7
CID 21278031
1-{2-[(2-Methoxy-1-methylethyl)amino]ethyl}-1,2-dihydropyridazine-3,6-dione
CID 50961301
2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 3595132
6-hydroxy-2-isopropyl-3(2H)-pyridazinone
CID 11378616
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
2-Methyl-1,6-dihydropyridazin-3-one
CID 57672228
CID 58044780
CID 58044780

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione (CID 61387020) is 2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione is CCNCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is GZTKFYPUVLAWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-9-5-6-11-8(13)4-3-7(12)10-11/h3-4,9H,2,5-6H2,1H3,(H,10,12).
What are the key properties of 2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione?
2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 183.21 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 61387020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).