5-(2,2-dimethylpropyl)-3-fluoropyridazine

C9H13FN2 — CID 59574766

IUPAC5-(2,2-dimethylpropyl)-3-fluoropyridazine
SMILESCC(C)(C)Cc1cnnc(F)c1
InChIInChI=1S/C9H13FN2/c1-9(2,3)5-7-4-8(10)12-11-6-7/h4,6H,5H2,1-3H3
InChIKeyYYSLMZXZSZMQHO-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.20
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-3-fluoropyridazine

5-(2,2-dimethylpropyl)-3-fluoropyridazine (PubChem CID 59574766) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3-fluoropyridazine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3-fluoropyridazine
PubChem CID59574766
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name5-(2,2-dimethylpropyl)-3-fluoropyridazine
SMILESCC(C)(C)Cc1cnnc(F)c1
InChIInChI=1S/C9H13FN2/c1-9(2,3)5-7-4-8(10)12-11-6-7/h4,6H,5H2,1-3H3
InChIKeyYYSLMZXZSZMQHO-UHFFFAOYSA-N
XLogP2.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,2-dimethylpropyl)-3-fluoropyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3-fluoropyridazine?
The IUPAC name of 5-(2,2-dimethylpropyl)-3-fluoropyridazine (CID 59574766) is 5-(2,2-dimethylpropyl)-3-fluoropyridazine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3-fluoropyridazine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3-fluoropyridazine is CC(C)(C)Cc1cnnc(F)c1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3-fluoropyridazine?
The InChIKey is YYSLMZXZSZMQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-9(2,3)5-7-4-8(10)12-11-6-7/h4,6H,5H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-3-fluoropyridazine?
5-(2,2-dimethylpropyl)-3-fluoropyridazine has a molecular weight of 168.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3-fluoropyridazine is sourced from PubChem (CID 59574766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).