4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid

C12H19N3O4 — CID 114394046

IUPAC4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid
SMILESCCN(CC)c1cnn(CC(O)CC(=O)O)c(=O)c1
InChIInChI=1S/C12H19N3O4/c1-3-14(4-2)9-5-11(17)15(13-7-9)8-10(16)6-12(18)19/h5,7,10,16H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyRPIBSWGNSUMBGX-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.07
Rot. Bonds7

About 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid

4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid (PubChem CID 114394046) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid
PubChem CID114394046
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid
SMILESCCN(CC)c1cnn(CC(O)CC(=O)O)c(=O)c1
InChIInChI=1S/C12H19N3O4/c1-3-14(4-2)9-5-11(17)15(13-7-9)8-10(16)6-12(18)19/h5,7,10,16H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyRPIBSWGNSUMBGX-UHFFFAOYSA-N
XLogP-0.07
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid?
The IUPAC name of 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid (CID 114394046) is 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid is CCN(CC)c1cnn(CC(O)CC(=O)O)c(=O)c1.
What is the InChIKey of 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid?
The InChIKey is RPIBSWGNSUMBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-14(4-2)9-5-11(17)15(13-7-9)8-10(16)6-12(18)19/h5,7,10,16H,3-4,6,8H2,1-2H3,(H,18,19).
What are the key properties of 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid?
4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid has a molecular weight of 269.30 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)-6-oxopyridazin-1-yl]-3-hydroxybutanoic acid is sourced from PubChem (CID 114394046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).