6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one

C11H14ClN3O2 — CID 169236456

IUPAC6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one
SMILESO=c1c(N2CCOCC2)cc(Cl)nn1C1CC1
InChIInChI=1S/C11H14ClN3O2/c12-10-7-9(14-3-5-17-6-4-14)11(16)15(13-10)8-1-2-8/h7-8H,1-6H2
InChIKeyOQPCAUIUQNOOHR-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.07
Rot. Bonds2

About 6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one

6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one (PubChem CID 169236456) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one
PubChem CID169236456
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one
SMILESO=c1c(N2CCOCC2)cc(Cl)nn1C1CC1
InChIInChI=1S/C11H14ClN3O2/c12-10-7-9(14-3-5-17-6-4-14)11(16)15(13-10)8-1-2-8/h7-8H,1-6H2
InChIKeyOQPCAUIUQNOOHR-UHFFFAOYSA-N
XLogP1.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one (CID 169236456) is 6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one is O=c1c(N2CCOCC2)cc(Cl)nn1C1CC1.
What is the InChIKey of 6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one?
The InChIKey is OQPCAUIUQNOOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-10-7-9(14-3-5-17-6-4-14)11(16)15(13-10)8-1-2-8/h7-8H,1-6H2.
What are the key properties of 6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one?
6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one has a molecular weight of 255.70 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-4-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 169236456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).