2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one

C16H23F2N5O3 — CID 172880981

IUPAC2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one
SMILESO=C(CN1CCN(c2cnn(CC(F)F)c(=O)c2)CC1)N1CCOCC1
InChIInChI=1S/C16H23F2N5O3/c17-14(18)11-23-15(24)9-13(10-19-23)21-3-1-20(2-4-21)12-16(25)22-5-7-26-8-6-22/h9-10,14H,1-8,11-12H2
InChIKeyOAVSLXXOXZKGMY-UHFFFAOYSA-N
MW371.39 g/mol
LogP-0.51
Rot. Bonds5

About 2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one

2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 172880981) has the molecular formula C16H23F2N5O3 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one
PubChem CID172880981
Molecular FormulaC16H23F2N5O3
Molecular Weight371.39 g/mol
Exact Mass371.18
IUPAC Name2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one
SMILESO=C(CN1CCN(c2cnn(CC(F)F)c(=O)c2)CC1)N1CCOCC1
InChIInChI=1S/C16H23F2N5O3/c17-14(18)11-23-15(24)9-13(10-19-23)21-3-1-20(2-4-21)12-16(25)22-5-7-26-8-6-22/h9-10,14H,1-8,11-12H2
InChIKeyOAVSLXXOXZKGMY-UHFFFAOYSA-N
XLogP-0.51
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one (CID 172880981) is 2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one is O=C(CN1CCN(c2cnn(CC(F)F)c(=O)c2)CC1)N1CCOCC1.
What is the InChIKey of 2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is OAVSLXXOXZKGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N5O3/c17-14(18)11-23-15(24)9-13(10-19-23)21-3-1-20(2-4-21)12-16(25)22-5-7-26-8-6-22/h9-10,14H,1-8,11-12H2.
What are the key properties of 2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one?
2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 371.39 g/mol, XLogP of -0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 172880981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).