3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine

C16H20N2 — CID 157019762

IUPAC3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine
SMILESCCC(C)c1ccc(-c2nncc(C)c2C)cc1
InChIInChI=1S/C16H20N2/c1-5-11(2)14-6-8-15(9-7-14)16-13(4)12(3)10-17-18-16/h6-11H,5H2,1-4H3
InChIKeyPAOHEBUYZJAOAB-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.27
Rot. Bonds3

About 3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine

3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine (PubChem CID 157019762) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine
PubChem CID157019762
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine
SMILESCCC(C)c1ccc(-c2nncc(C)c2C)cc1
InChIInChI=1S/C16H20N2/c1-5-11(2)14-6-8-15(9-7-14)16-13(4)12(3)10-17-18-16/h6-11H,5H2,1-4H3
InChIKeyPAOHEBUYZJAOAB-UHFFFAOYSA-N
XLogP4.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine
CID 163314713
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine
CID 82113932
2-[3,5-bis[5-(4-butan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-butan-2-ylphenyl)-1,3,4-oxadiazole
CID 59882736
4-(4-butan-2-ylphenyl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867072
2-[4-(4-butan-2-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522274
2-[3-(4-butan-2-ylphenyl)pyrazin-2-yl]acetic acid
CID 82488188
3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
CID 5100398
1-butan-2-yl-4-fluorobenzene
CID 11829648
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine?
The IUPAC name of 3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine (CID 157019762) is 3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine?
The canonical SMILES for 3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine is CCC(C)c1ccc(-c2nncc(C)c2C)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine?
The InChIKey is PAOHEBUYZJAOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-5-11(2)14-6-8-15(9-7-14)16-13(4)12(3)10-17-18-16/h6-11H,5H2,1-4H3.
What are the key properties of 3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine?
3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine has a molecular weight of 240.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine is sourced from PubChem (CID 157019762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).