6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one

C10H16ClN3O — CID 559693

IUPAC6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one
SMILESCCN(CC)CCn1nc(Cl)ccc1=O
InChIInChI=1S/C10H16ClN3O/c1-3-13(4-2)7-8-14-10(15)6-5-9(11)12-14/h5-6H,3-4,7-8H2,1-2H3
InChIKeyGTDMJGWJAYLSFG-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.24
Rot. Bonds5

About 6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one

6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one (PubChem CID 559693) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one
PubChem CID559693
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one
SMILESCCN(CC)CCn1nc(Cl)ccc1=O
InChIInChI=1S/C10H16ClN3O/c1-3-13(4-2)7-8-14-10(15)6-5-9(11)12-14/h5-6H,3-4,7-8H2,1-2H3
InChIKeyGTDMJGWJAYLSFG-UHFFFAOYSA-N
XLogP1.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one (CID 559693) is 6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one is CCN(CC)CCn1nc(Cl)ccc1=O.
What is the InChIKey of 6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one?
The InChIKey is GTDMJGWJAYLSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-3-13(4-2)7-8-14-10(15)6-5-9(11)12-14/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one?
6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one has a molecular weight of 229.71 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(diethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 559693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).