4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride

C8H12ClN3O2 — CID 23448481

IUPAC4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride
SMILESCl.O=c1cc(N2CCOCC2)cn[nH]1
InChIInChI=1S/C8H11N3O2.ClH/c12-8-5-7(6-9-10-8)11-1-3-13-4-2-11;/h5-6H,1-4H2,(H,10,12);1H
InChIKeySBXQWKQXHYMZDP-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.03
Rot. Bonds1

About 4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride

4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride (PubChem CID 23448481) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride
PubChem CID23448481
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride
SMILESCl.O=c1cc(N2CCOCC2)cn[nH]1
InChIInChI=1S/C8H11N3O2.ClH/c12-8-5-7(6-9-10-8)11-1-3-13-4-2-11;/h5-6H,1-4H2,(H,10,12);1H
InChIKeySBXQWKQXHYMZDP-UHFFFAOYSA-N
XLogP0.03
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride?
The IUPAC name of 4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride (CID 23448481) is 4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride is Cl.O=c1cc(N2CCOCC2)cn[nH]1.
What is the InChIKey of 4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride?
The InChIKey is SBXQWKQXHYMZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c12-8-5-7(6-9-10-8)11-1-3-13-4-2-11;/h5-6H,1-4H2,(H,10,12);1H.
What are the key properties of 4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride?
4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride is sourced from PubChem (CID 23448481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).