3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine

C16H17ClN2 — CID 114606781

IUPAC3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(-c2ccccc2C2CCC2)c1C
InChIInChI=1S/C16H17ClN2/c1-10-11(2)16(17)19-18-15(10)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,12H,5-7H2,1-2H3
InChIKeyDPUMKZIDVLHKEJ-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.68
Rot. Bonds2

About 3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine

3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine (PubChem CID 114606781) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine
PubChem CID114606781
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(-c2ccccc2C2CCC2)c1C
InChIInChI=1S/C16H17ClN2/c1-10-11(2)16(17)19-18-15(10)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,12H,5-7H2,1-2H3
InChIKeyDPUMKZIDVLHKEJ-UHFFFAOYSA-N
XLogP4.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene
CID 144658616
2-chloro-6-(2-cyclobutylphenyl)pyridine
CID 114606707
3-chloro-6-(2,3-dimethoxyphenyl)-4,5-dimethylpyridazine
CID 82793955
6-chloro-4,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 63271648
3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106522370
1-cyclobutyl-2-phenylbenzene
CID 23453799
3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine
CID 114607057
3-(2-cyclobutylphenyl)-4-methylpyridin-2-amine
CID 114605965
2-tert-butyl-4-chloro-6-(2-cyclobutylphenyl)pyrimidine
CID 114606804
(1R)-1-[2-(2-cyclobutylphenyl)phenyl]ethanol
CID 71129039
N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine
CID 114605475
1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
CID 156827095

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine (CID 114606781) is 3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine is Cc1c(Cl)nnc(-c2ccccc2C2CCC2)c1C.
What is the InChIKey of 3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine?
The InChIKey is DPUMKZIDVLHKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-10-11(2)16(17)19-18-15(10)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,12H,5-7H2,1-2H3.
What are the key properties of 3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine?
3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine has a molecular weight of 272.78 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-cyclobutylphenyl)-4,5-dimethylpyridazine is sourced from PubChem (CID 114606781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).