6-tert-butyl-3-methylpyridazine-4-carboxylic acid

C10H14N2O2 — CID 96623276

IUPAC6-tert-butyl-3-methylpyridazine-4-carboxylic acid
SMILESCc1nnc(C(C)(C)C)cc1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-6-7(9(13)14)5-8(12-11-6)10(2,3)4/h5H,1-4H3,(H,13,14)
InChIKeySWOOMQUDTRMULR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.78
Rot. Bonds1

About 6-tert-butyl-3-methylpyridazine-4-carboxylic acid

6-tert-butyl-3-methylpyridazine-4-carboxylic acid (PubChem CID 96623276) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-tert-butyl-3-methylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-3-methylpyridazine-4-carboxylic acid
PubChem CID96623276
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-tert-butyl-3-methylpyridazine-4-carboxylic acid
SMILESCc1nnc(C(C)(C)C)cc1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-6-7(9(13)14)5-8(12-11-6)10(2,3)4/h5H,1-4H3,(H,13,14)
InChIKeySWOOMQUDTRMULR-UHFFFAOYSA-N
XLogP1.78
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methylpyridazine-4-carboxylic acid?
The IUPAC name of 6-tert-butyl-3-methylpyridazine-4-carboxylic acid (CID 96623276) is 6-tert-butyl-3-methylpyridazine-4-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-3-methylpyridazine-4-carboxylic acid?
The canonical SMILES for 6-tert-butyl-3-methylpyridazine-4-carboxylic acid is Cc1nnc(C(C)(C)C)cc1C(=O)O.
What is the InChIKey of 6-tert-butyl-3-methylpyridazine-4-carboxylic acid?
The InChIKey is SWOOMQUDTRMULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-7(9(13)14)5-8(12-11-6)10(2,3)4/h5H,1-4H3,(H,13,14).
What are the key properties of 6-tert-butyl-3-methylpyridazine-4-carboxylic acid?
6-tert-butyl-3-methylpyridazine-4-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methylpyridazine-4-carboxylic acid is sourced from PubChem (CID 96623276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).