4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one

C11H16ClN3O2 — CID 1474949

IUPAC4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(C)=O)c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-4-14(5-2)9-6-13-15(7-8(3)16)11(17)10(9)12/h6H,4-5,7H2,1-3H3
InChIKeyNFKZDRNVNJWEPM-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.33
Rot. Bonds5

About 4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one

4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one (PubChem CID 1474949) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one
PubChem CID1474949
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(C)=O)c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-4-14(5-2)9-6-13-15(7-8(3)16)11(17)10(9)12/h6H,4-5,7H2,1-3H3
InChIKeyNFKZDRNVNJWEPM-UHFFFAOYSA-N
XLogP1.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one (CID 1474949) is 4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one is CCN(CC)c1cnn(CC(C)=O)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one?
The InChIKey is NFKZDRNVNJWEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-4-14(5-2)9-6-13-15(7-8(3)16)11(17)10(9)12/h6H,4-5,7H2,1-3H3.
What are the key properties of 4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one?
4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one has a molecular weight of 257.72 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(diethylamino)-2-(2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 1474949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).