5-chloro-3-propan-2-ylpyridazine

C7H9ClN2 — CID 117106924

IUPAC5-chloro-3-propan-2-ylpyridazine
SMILESCC(C)c1cc(Cl)cnn1
InChIInChI=1S/C7H9ClN2/c1-5(2)7-3-6(8)4-9-10-7/h3-5H,1-2H3
InChIKeyDBLGMWXSGWDCDW-UHFFFAOYSA-N
MW156.62 g/mol
LogP2.25
Rot. Bonds1

About 5-chloro-3-propan-2-ylpyridazine

5-chloro-3-propan-2-ylpyridazine (PubChem CID 117106924) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 5-chloro-3-propan-2-ylpyridazine.

Molecular Properties

Compound Name5-chloro-3-propan-2-ylpyridazine
PubChem CID117106924
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name5-chloro-3-propan-2-ylpyridazine
SMILESCC(C)c1cc(Cl)cnn1
InChIInChI=1S/C7H9ClN2/c1-5(2)7-3-6(8)4-9-10-7/h3-5H,1-2H3
InChIKeyDBLGMWXSGWDCDW-UHFFFAOYSA-N
XLogP2.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-di(propan-2-yl)pyridazine
CID 21037378
ethane;5-methyl-3-propan-2-ylpyridazine
CID 144528094
5-methoxy-3-propan-2-ylpyridazine
CID 122547241
ethane;5-methoxy-3-propan-2-ylpyridazine
CID 166553087
N-(6-propan-2-ylpyridazin-4-yl)acetamide
CID 153291131
5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane
CID 142361365
ethane;6-propan-2-yl-1,2,4-triazine
CID 142334326
3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine
CID 132587809
5-chloro-3-(difluoromethoxy)pyridazine
CID 91286210
5-chloro-3-propan-2-yl-1,2,4-triazine
CID 83814499
3-bromo-5-propan-2-yl-1,2,4-triazine
CID 105454049
methyl 5-chloropyridazine-3-carboxylate
CID 131699995

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-propan-2-ylpyridazine?
The IUPAC name of 5-chloro-3-propan-2-ylpyridazine (CID 117106924) is 5-chloro-3-propan-2-ylpyridazine.
What is the SMILES notation for 5-chloro-3-propan-2-ylpyridazine?
The canonical SMILES for 5-chloro-3-propan-2-ylpyridazine is CC(C)c1cc(Cl)cnn1.
What is the InChIKey of 5-chloro-3-propan-2-ylpyridazine?
The InChIKey is DBLGMWXSGWDCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-5(2)7-3-6(8)4-9-10-7/h3-5H,1-2H3.
What are the key properties of 5-chloro-3-propan-2-ylpyridazine?
5-chloro-3-propan-2-ylpyridazine has a molecular weight of 156.62 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-propan-2-ylpyridazine is sourced from PubChem (CID 117106924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).