2-(2-aminoethyl)-1H-pyridazine-3,6-dione

C6H9N3O2 — CID 16782851

IUPAC2-(2-aminoethyl)-1H-pyridazine-3,6-dione
SMILESNCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C6H9N3O2/c7-3-4-9-6(11)2-1-5(10)8-9/h1-2H,3-4,7H2,(H,8,10)
InChIKeyKCIFZAWTIOZTBL-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.50
Rot. Bonds2

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

2-(2-aminoethyl)-1H-pyridazine-3,6-dione (PubChem CID 16782851) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-aminoethyl)-1H-pyridazine-3,6-dione
PubChem CID16782851
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(2-aminoethyl)-1H-pyridazine-3,6-dione
SMILESNCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C6H9N3O2/c7-3-4-9-6(11)2-1-5(10)8-9/h1-2H,3-4,7H2,(H,8,10)
InChIKeyKCIFZAWTIOZTBL-UHFFFAOYSA-N
XLogP-1.50
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile
CID 580599
1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
1-(2-Bromoethyl)-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 24688547
1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione
CID 138715541
Bis(aminoethylamino) ethyl maleamide
CID 129826976
Einecs 253-082-7
CID 21278031
2-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-pyridazine-3,6-dione
CID 43752784
2-(2-Carbamoylethyl)-2,3-dihydro-6-hydroxy-3-oxopyridazine
CID 597095
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-aminoethyl)-1H-pyridazine-3,6-dione (CID 16782851) is 2-(2-aminoethyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-aminoethyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-aminoethyl)-1H-pyridazine-3,6-dione is NCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(2-aminoethyl)-1H-pyridazine-3,6-dione?
The InChIKey is KCIFZAWTIOZTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-3-4-9-6(11)2-1-5(10)8-9/h1-2H,3-4,7H2,(H,8,10).
What are the key properties of 2-(2-aminoethyl)-1H-pyridazine-3,6-dione?
2-(2-aminoethyl)-1H-pyridazine-3,6-dione has a molecular weight of 155.16 g/mol, XLogP of -1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 16782851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).