5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one

C18H25N5O2 — CID 31193746

IUPAC5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one
SMILESNCC[C@H]1CN(c2cnn(CCCc3cccnc3)c(=O)c2)CCO1
InChIInChI=1S/C18H25N5O2/c19-6-5-17-14-22(9-10-25-17)16-11-18(24)23(21-13-16)8-2-4-15-3-1-7-20-12-15/h1,3,7,11-13,17H,2,4-6,8-10,14,19H2/t17-/m0/s1
InChIKeyDRCJBDAQYFMDRY-KRWDZBQOSA-N
MW343.43 g/mol
LogP0.83
Rot. Bonds7

About 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one

5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one (PubChem CID 31193746) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one
PubChem CID31193746
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one
SMILESNCC[C@H]1CN(c2cnn(CCCc3cccnc3)c(=O)c2)CCO1
InChIInChI=1S/C18H25N5O2/c19-6-5-17-14-22(9-10-25-17)16-11-18(24)23(21-13-16)8-2-4-15-3-1-7-20-12-15/h1,3,7,11-13,17H,2,4-6,8-10,14,19H2/t17-/m0/s1
InChIKeyDRCJBDAQYFMDRY-KRWDZBQOSA-N
XLogP0.83
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one?
The IUPAC name of 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one (CID 31193746) is 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one?
The canonical SMILES for 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one is NCC[C@H]1CN(c2cnn(CCCc3cccnc3)c(=O)c2)CCO1.
What is the InChIKey of 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one?
The InChIKey is DRCJBDAQYFMDRY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N5O2/c19-6-5-17-14-22(9-10-25-17)16-11-18(24)23(21-13-16)8-2-4-15-3-1-7-20-12-15/h1,3,7,11-13,17H,2,4-6,8-10,14,19H2/t17-/m0/s1.
What are the key properties of 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one?
5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one has a molecular weight of 343.43 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 31193746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).