4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid

C11H15N3O4 — CID 175803915

IUPAC4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESCc1n[nH]c(=O)c(C(=O)O)c1CCC(=O)N(C)C
InChIInChI=1S/C11H15N3O4/c1-6-7(4-5-8(15)14(2)3)9(11(17)18)10(16)13-12-6/h4-5H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyBUKZHAULXMSFJD-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.20
Rot. Bonds4

About 4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid

4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid (PubChem CID 175803915) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid
PubChem CID175803915
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESCc1n[nH]c(=O)c(C(=O)O)c1CCC(=O)N(C)C
InChIInChI=1S/C11H15N3O4/c1-6-7(4-5-8(15)14(2)3)9(11(17)18)10(16)13-12-6/h4-5H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyBUKZHAULXMSFJD-UHFFFAOYSA-N
XLogP-0.20
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid (CID 175803915) is 4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid is Cc1n[nH]c(=O)c(C(=O)O)c1CCC(=O)N(C)C.
What is the InChIKey of 4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid?
The InChIKey is BUKZHAULXMSFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-7(4-5-8(15)14(2)3)9(11(17)18)10(16)13-12-6/h4-5H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid?
4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 175803915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).