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

C6H10ClN3O2 — CID 53398858

IUPAC2-(2-aminoethyl)-1H-pyridazine-3,6-dione;hydrochloride
SMILESCl.NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C6H9N3O2.ClH/c7-3-4-9-6(11)2-1-5(10)8-9;/h1-2H,3-4,7H2,(H,8,10);1H
InChIKeyCDOCBUDXPUDEKZ-UHFFFAOYSA-N
MW191.62 g/mol
LogP-1.08
Rot. Bonds2

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

2-(2-aminoethyl)-1H-pyridazine-3,6-dione;hydrochloride (PubChem CID 53398858) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1H-pyridazine-3,6-dione;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-1H-pyridazine-3,6-dione;hydrochloride
PubChem CID53398858
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Name2-(2-aminoethyl)-1H-pyridazine-3,6-dione;hydrochloride
SMILESCl.NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C6H9N3O2.ClH/c7-3-4-9-6(11)2-1-5(10)8-9;/h1-2H,3-4,7H2,(H,8,10);1H
InChIKeyCDOCBUDXPUDEKZ-UHFFFAOYSA-N
XLogP-1.08
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
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
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
1-(Ethylamino)pyrrole-2,5-dione;hydrochloride
CID 18671274
CID 58044780
CID 58044780
1-(2-Aminoethylamino)pyrrole-2,5-dione
CID 67856902

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1H-pyridazine-3,6-dione;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-1H-pyridazine-3,6-dione;hydrochloride (CID 53398858) is 2-(2-aminoethyl)-1H-pyridazine-3,6-dione;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-1H-pyridazine-3,6-dione;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-1H-pyridazine-3,6-dione;hydrochloride is Cl.NCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(2-aminoethyl)-1H-pyridazine-3,6-dione;hydrochloride?
The InChIKey is CDOCBUDXPUDEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c7-3-4-9-6(11)2-1-5(10)8-9;/h1-2H,3-4,7H2,(H,8,10);1H.
What are the key properties of 2-(2-aminoethyl)-1H-pyridazine-3,6-dione;hydrochloride?
2-(2-aminoethyl)-1H-pyridazine-3,6-dione;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of -1.08, 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;hydrochloride is sourced from PubChem (CID 53398858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).