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

C12H19N3O4 — CID 114393862

IUPACethyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H19N3O4/c1-4-19-12(18)6-10(16)8-15-11(17)5-9(7-13-15)14(2)3/h5,7,10,16H,4,6,8H2,1-3H3
InChIKeySACXEKGNGXDCJM-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.38
Rot. Bonds6

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

ethyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate (PubChem CID 114393862) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate
PubChem CID114393862
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nameethyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H19N3O4/c1-4-19-12(18)6-10(16)8-15-11(17)5-9(7-13-15)14(2)3/h5,7,10,16H,4,6,8H2,1-3H3
InChIKeySACXEKGNGXDCJM-UHFFFAOYSA-N
XLogP-0.38
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate?
The IUPAC name of ethyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate (CID 114393862) is ethyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate is CCOC(=O)CC(O)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of ethyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate?
The InChIKey is SACXEKGNGXDCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-4-19-12(18)6-10(16)8-15-11(17)5-9(7-13-15)14(2)3/h5,7,10,16H,4,6,8H2,1-3H3.
What are the key properties of ethyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate?
ethyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate has a molecular weight of 269.30 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoate is sourced from PubChem (CID 114393862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).