4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid

C10H15N3O3 — CID 114393838

IUPAC4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid
SMILESCN(C)c1cnn(CCCC(=O)O)c(=O)c1
InChIInChI=1S/C10H15N3O3/c1-12(2)8-6-9(14)13(11-7-8)5-3-4-10(15)16/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyPMZNPYQSTZKYDZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.17
Rot. Bonds5

About 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid

4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid (PubChem CID 114393838) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid
PubChem CID114393838
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid
SMILESCN(C)c1cnn(CCCC(=O)O)c(=O)c1
InChIInChI=1S/C10H15N3O3/c1-12(2)8-6-9(14)13(11-7-8)5-3-4-10(15)16/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyPMZNPYQSTZKYDZ-UHFFFAOYSA-N
XLogP0.17
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid (CID 114393838) is 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid is CN(C)c1cnn(CCCC(=O)O)c(=O)c1.
What is the InChIKey of 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid?
The InChIKey is PMZNPYQSTZKYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12(2)8-6-9(14)13(11-7-8)5-3-4-10(15)16/h6-7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid?
4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanoic acid is sourced from PubChem (CID 114393838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).