5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride

C13H20ClF3N4O2 — CID 154893091

IUPAC5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride
SMILESCl.NCCC1CN(c2cnn(CCC(F)(F)F)c(=O)c2)CCO1
InChIInChI=1S/C13H19F3N4O2.ClH/c14-13(15,16)2-4-20-12(21)7-10(8-18-20)19-5-6-22-11(9-19)1-3-17;/h7-8,11H,1-6,9,17H2;1H
InChIKeyWQRPDFUIKVRUGT-UHFFFAOYSA-N
MW356.78 g/mol
LogP1.17
Rot. Bonds5

About 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride

5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride (PubChem CID 154893091) has the molecular formula C13H20ClF3N4O2 and a molecular weight of 356.78 g/mol. Its IUPAC name is 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride
PubChem CID154893091
Molecular FormulaC13H20ClF3N4O2
Molecular Weight356.78 g/mol
Exact Mass356.12
IUPAC Name5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride
SMILESCl.NCCC1CN(c2cnn(CCC(F)(F)F)c(=O)c2)CCO1
InChIInChI=1S/C13H19F3N4O2.ClH/c14-13(15,16)2-4-20-12(21)7-10(8-18-20)19-5-6-22-11(9-19)1-3-17;/h7-8,11H,1-6,9,17H2;1H
InChIKeyWQRPDFUIKVRUGT-UHFFFAOYSA-N
XLogP1.17
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride?
The IUPAC name of 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride (CID 154893091) is 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride.
What is the SMILES notation for 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride?
The canonical SMILES for 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride is Cl.NCCC1CN(c2cnn(CCC(F)(F)F)c(=O)c2)CCO1.
What is the InChIKey of 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride?
The InChIKey is WQRPDFUIKVRUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2.ClH/c14-13(15,16)2-4-20-12(21)7-10(8-18-20)19-5-6-22-11(9-19)1-3-17;/h7-8,11H,1-6,9,17H2;1H.
What are the key properties of 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride?
5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride has a molecular weight of 356.78 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride is sourced from PubChem (CID 154893091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).