2,2-dimethylpropanoic acid;hydron;pyridazine

C9H15N2O2+ — CID 174520033

IUPAC2,2-dimethylpropanoic acid;hydron;pyridazine
SMILESCC(C)(C)C(=O)O.[H+].c1ccnnc1
InChIInChI=1S/C5H10O2.C4H4N2/c1-5(2,3)4(6)7;1-2-4-6-5-3-1/h1-3H3,(H,6,7);1-4H/p+1
InChIKeyOKJICDMAOMHZBN-UHFFFAOYSA-O
MW183.23 g/mol
LogP1.71
Rot. Bonds

About 2,2-dimethylpropanoic acid;hydron;pyridazine

2,2-dimethylpropanoic acid;hydron;pyridazine (PubChem CID 174520033) has the molecular formula C9H15N2O2+ and a molecular weight of 183.23 g/mol. Its IUPAC name is 2,2-dimethylpropanoic acid;hydron;pyridazine.

Molecular Properties

Compound Name2,2-dimethylpropanoic acid;hydron;pyridazine
PubChem CID174520033
Molecular FormulaC9H15N2O2+
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2,2-dimethylpropanoic acid;hydron;pyridazine
SMILESCC(C)(C)C(=O)O.[H+].c1ccnnc1
InChIInChI=1S/C5H10O2.C4H4N2/c1-5(2,3)4(6)7;1-2-4-6-5-3-1/h1-3H3,(H,6,7);1-4H/p+1
InChIKeyOKJICDMAOMHZBN-UHFFFAOYSA-O
XLogP1.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoic acid;hydron;pyridazine?
The IUPAC name of 2,2-dimethylpropanoic acid;hydron;pyridazine (CID 174520033) is 2,2-dimethylpropanoic acid;hydron;pyridazine.
What is the SMILES notation for 2,2-dimethylpropanoic acid;hydron;pyridazine?
The canonical SMILES for 2,2-dimethylpropanoic acid;hydron;pyridazine is CC(C)(C)C(=O)O.[H+].c1ccnnc1.
What is the InChIKey of 2,2-dimethylpropanoic acid;hydron;pyridazine?
The InChIKey is OKJICDMAOMHZBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10O2.C4H4N2/c1-5(2,3)4(6)7;1-2-4-6-5-3-1/h1-3H3,(H,6,7);1-4H/p+1.
What are the key properties of 2,2-dimethylpropanoic acid;hydron;pyridazine?
2,2-dimethylpropanoic acid;hydron;pyridazine has a molecular weight of 183.23 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoic acid;hydron;pyridazine is sourced from PubChem (CID 174520033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).