4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one

C10H14ClN3O2 — CID 2769265

IUPAC4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one
SMILESCCn1ncc(N2CCOCC2)c(Cl)c1=O
InChIInChI=1S/C10H14ClN3O2/c1-2-14-10(15)9(11)8(7-12-14)13-3-5-16-6-4-13/h7H,2-6H2,1H3
InChIKeySROYPHPASRPYKZ-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.75
Rot. Bonds2

About 4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one

4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one (PubChem CID 2769265) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one
PubChem CID2769265
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one
SMILESCCn1ncc(N2CCOCC2)c(Cl)c1=O
InChIInChI=1S/C10H14ClN3O2/c1-2-14-10(15)9(11)8(7-12-14)13-3-5-16-6-4-13/h7H,2-6H2,1H3
InChIKeySROYPHPASRPYKZ-UHFFFAOYSA-N
XLogP0.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one (CID 2769265) is 4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one is CCn1ncc(N2CCOCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is SROYPHPASRPYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-2-14-10(15)9(11)8(7-12-14)13-3-5-16-6-4-13/h7H,2-6H2,1H3.
What are the key properties of 4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one?
4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 243.69 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 2769265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).