3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid

C14H17N3O4 — CID 114394039

IUPAC3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid
SMILESCCN(CC)c1cnn(Cc2ccoc2C(=O)O)c(=O)c1
InChIInChI=1S/C14H17N3O4/c1-3-16(4-2)11-7-12(18)17(15-8-11)9-10-5-6-21-13(10)14(19)20/h5-8H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyOMLPTUNCQZFSCO-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.43
Rot. Bonds6

About 3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid

3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 114394039) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid
PubChem CID114394039
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid
SMILESCCN(CC)c1cnn(Cc2ccoc2C(=O)O)c(=O)c1
InChIInChI=1S/C14H17N3O4/c1-3-16(4-2)11-7-12(18)17(15-8-11)9-10-5-6-21-13(10)14(19)20/h5-8H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyOMLPTUNCQZFSCO-UHFFFAOYSA-N
XLogP1.43
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid (CID 114394039) is 3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid is CCN(CC)c1cnn(Cc2ccoc2C(=O)O)c(=O)c1.
What is the InChIKey of 3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is OMLPTUNCQZFSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-3-16(4-2)11-7-12(18)17(15-8-11)9-10-5-6-21-13(10)14(19)20/h5-8H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of 3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid?
3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 114394039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).