ethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate

C14H23N3O4 — CID 114394045

IUPACethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)Cn1ncc(N(CC)CC)cc1=O
InChIInChI=1S/C14H23N3O4/c1-4-16(5-2)11-7-13(19)17(15-9-11)10-12(18)8-14(20)21-6-3/h7,9,12,18H,4-6,8,10H2,1-3H3
InChIKeyLYFBVYYKIXQUBW-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.40
Rot. Bonds8

About ethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate

ethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate (PubChem CID 114394045) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate
PubChem CID114394045
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nameethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)Cn1ncc(N(CC)CC)cc1=O
InChIInChI=1S/C14H23N3O4/c1-4-16(5-2)11-7-13(19)17(15-9-11)10-12(18)8-14(20)21-6-3/h7,9,12,18H,4-6,8,10H2,1-3H3
InChIKeyLYFBVYYKIXQUBW-UHFFFAOYSA-N
XLogP0.40
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate?
The IUPAC name of ethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate (CID 114394045) is ethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate is CCOC(=O)CC(O)Cn1ncc(N(CC)CC)cc1=O.
What is the InChIKey of ethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate?
The InChIKey is LYFBVYYKIXQUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-4-16(5-2)11-7-13(19)17(15-9-11)10-12(18)8-14(20)21-6-3/h7,9,12,18H,4-6,8,10H2,1-3H3.
What are the key properties of ethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate?
ethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate has a molecular weight of 297.36 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate is sourced from PubChem (CID 114394045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).