morpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone

C13H18N4O2 — CID 110269126

IUPACmorpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone
SMILESO=C(C1CCN(c2cccnn2)C1)N1CCOCC1
InChIInChI=1S/C13H18N4O2/c18-13(16-6-8-19-9-7-16)11-3-5-17(10-11)12-2-1-4-14-15-12/h1-2,4,11H,3,5-10H2
InChIKeyUGRKVSYWYGTOFE-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.16
Rot. Bonds2

About morpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone

morpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone (PubChem CID 110269126) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is morpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone
PubChem CID110269126
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Namemorpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone
SMILESO=C(C1CCN(c2cccnn2)C1)N1CCOCC1
InChIInChI=1S/C13H18N4O2/c18-13(16-6-8-19-9-7-16)11-3-5-17(10-11)12-2-1-4-14-15-12/h1-2,4,11H,3,5-10H2
InChIKeyUGRKVSYWYGTOFE-UHFFFAOYSA-N
XLogP0.16
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone?
The IUPAC name of morpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone (CID 110269126) is morpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for morpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone is O=C(C1CCN(c2cccnn2)C1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone?
The InChIKey is UGRKVSYWYGTOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-13(16-6-8-19-9-7-16)11-3-5-17(10-11)12-2-1-4-14-15-12/h1-2,4,11H,3,5-10H2.
What are the key properties of morpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone?
morpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 110269126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).