3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine

C10H15ClN2 — CID 176738802

IUPAC3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine
SMILESCC(c1ccc(Cl)nn1)C(C)(C)C
InChIInChI=1S/C10H15ClN2/c1-7(10(2,3)4)8-5-6-9(11)13-12-8/h5-7H,1-4H3
InChIKeyQEXKERRGUHWNAB-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.28
Rot. Bonds1

About 3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine

3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine (PubChem CID 176738802) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine
PubChem CID176738802
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine
SMILESCC(c1ccc(Cl)nn1)C(C)(C)C
InChIInChI=1S/C10H15ClN2/c1-7(10(2,3)4)8-5-6-9(11)13-12-8/h5-7H,1-4H3
InChIKeyQEXKERRGUHWNAB-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloro-6-phenylpyridazine
CID 88515
3-Chloro-6-methylpyridazine
CID 227254
(6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile
CID 6409738
3-Chloro-6-(2-methylbenzyl)pyridazine
CID 6404653
3-Benzyl-6-chloropyridazine
CID 6404535
(6-Chloropyridazin-3-yl)(4-methylphenyl)acetonitrile
CID 2764222
(6-Chloropyridazin-3-yl)(phenyl)acetonitrile
CID 5706838
3-Chloro-6-(4-methylphenyl)pyridazine
CID 2775558
3-Chloro-6-[(3-methylphenyl)methyl]pyridazine
CID 6404581
4-Chloro-3,6-dimethylpyridazine
CID 12440099
3-Chloro-6-(4-fluorophenyl)pyridazine
CID 6422444
3-Chloro-6-(2-fluorobenzyl)pyridazine
CID 6404571

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine?
The IUPAC name of 3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine (CID 176738802) is 3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine is CC(c1ccc(Cl)nn1)C(C)(C)C.
What is the InChIKey of 3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine?
The InChIKey is QEXKERRGUHWNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-7(10(2,3)4)8-5-6-9(11)13-12-8/h5-7H,1-4H3.
What are the key properties of 3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine?
3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine has a molecular weight of 198.70 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,3-dimethylbutan-2-yl)pyridazine is sourced from PubChem (CID 176738802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).