1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid

C10H14N2O3 — CID 127019977

IUPAC1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid
SMILESCC(C)C(C)n1nc(C(=O)O)ccc1=O
InChIInChI=1S/C10H14N2O3/c1-6(2)7(3)12-9(13)5-4-8(11-12)10(14)15/h4-7H,1-3H3,(H,14,15)
InChIKeyFWORPQAZMNZBSQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.16
Rot. Bonds3

About 1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid

1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 127019977) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid
PubChem CID127019977
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid
SMILESCC(C)C(C)n1nc(C(=O)O)ccc1=O
InChIInChI=1S/C10H14N2O3/c1-6(2)7(3)12-9(13)5-4-8(11-12)10(14)15/h4-7H,1-3H3,(H,14,15)
InChIKeyFWORPQAZMNZBSQ-UHFFFAOYSA-N
XLogP1.16
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid (CID 127019977) is 1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid is CC(C)C(C)n1nc(C(=O)O)ccc1=O.
What is the InChIKey of 1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is FWORPQAZMNZBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)7(3)12-9(13)5-4-8(11-12)10(14)15/h4-7H,1-3H3,(H,14,15).
What are the key properties of 1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid?
1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 127019977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).