ethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate

C14H21ClN2O4 — CID 164914250

IUPACethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate
SMILESCCCOc1c(C(C)C)nn(CC(=O)OCC)c(=O)c1Cl
InChIInChI=1S/C14H21ClN2O4/c1-5-7-21-13-11(15)14(19)17(8-10(18)20-6-2)16-12(13)9(3)4/h9H,5-8H2,1-4H3
InChIKeyQZVPQKSCPBFSLG-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.37
Rot. Bonds7

About ethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate

ethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate (PubChem CID 164914250) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.79 g/mol. Its IUPAC name is ethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate
PubChem CID164914250
Molecular FormulaC14H21ClN2O4
Molecular Weight316.79 g/mol
Exact Mass316.12
IUPAC Nameethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate
SMILESCCCOc1c(C(C)C)nn(CC(=O)OCC)c(=O)c1Cl
InChIInChI=1S/C14H21ClN2O4/c1-5-7-21-13-11(15)14(19)17(8-10(18)20-6-2)16-12(13)9(3)4/h9H,5-8H2,1-4H3
InChIKeyQZVPQKSCPBFSLG-UHFFFAOYSA-N
XLogP2.37
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate (CID 164914250) is ethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate is CCCOc1c(C(C)C)nn(CC(=O)OCC)c(=O)c1Cl.
What is the InChIKey of ethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate?
The InChIKey is QZVPQKSCPBFSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4/c1-5-7-21-13-11(15)14(19)17(8-10(18)20-6-2)16-12(13)9(3)4/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate?
ethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate has a molecular weight of 316.79 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate is sourced from PubChem (CID 164914250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).