2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid

C10H14N2O3 — CID 12778305

IUPAC2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid
SMILESCc1cnn(C(C)(C)C)c(=O)c1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-6-5-11-12(10(2,3)4)8(13)7(6)9(14)15/h5H,1-4H3,(H,14,15)
InChIKeyXMYGTWAMUIYHBU-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.00
Rot. Bonds1

About 2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid

2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid (PubChem CID 12778305) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid
PubChem CID12778305
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid
SMILESCc1cnn(C(C)(C)C)c(=O)c1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-6-5-11-12(10(2,3)4)8(13)7(6)9(14)15/h5H,1-4H3,(H,14,15)
InChIKeyXMYGTWAMUIYHBU-UHFFFAOYSA-N
XLogP1.00
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid (CID 12778305) is 2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid is Cc1cnn(C(C)(C)C)c(=O)c1C(=O)O.
What is the InChIKey of 2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid?
The InChIKey is XMYGTWAMUIYHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-5-11-12(10(2,3)4)8(13)7(6)9(14)15/h5H,1-4H3,(H,14,15).
What are the key properties of 2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid?
2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 12778305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).