5-tert-butyl-3-phenylpyridazine

C14H16N2 — CID 15054351

IUPAC5-tert-butyl-3-phenylpyridazine
SMILESCC(C)(C)c1cnnc(-c2ccccc2)c1
InChIInChI=1S/C14H16N2/c1-14(2,3)12-9-13(16-15-10-12)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyYMIRPFAZQLVFIW-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.44
Rot. Bonds1

About 5-tert-butyl-3-phenylpyridazine

5-tert-butyl-3-phenylpyridazine (PubChem CID 15054351) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-tert-butyl-3-phenylpyridazine.

Molecular Properties

Compound Name5-tert-butyl-3-phenylpyridazine
PubChem CID15054351
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name5-tert-butyl-3-phenylpyridazine
SMILESCC(C)(C)c1cnnc(-c2ccccc2)c1
InChIInChI=1S/C14H16N2/c1-14(2,3)12-9-13(16-15-10-12)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyYMIRPFAZQLVFIW-UHFFFAOYSA-N
XLogP3.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylcinnoline
CID 26843
4-(2-Phenylethenyl)cinnoline
CID 22797
3-Phenylpyridazine
CID 193499
4-Phenylcinnoline
CID 609867
3-Methyl-5-phenylpyridazine
CID 2736934
3-(6-Phenyl-pyridazin-4-yl)-benzonitrile
CID 10400221
3-[6-(3-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401160
3-[6-(2-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401161
3-[6-(4-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401162
3,5-Diphenylpyridazine
CID 10443943
NBI-2 (non-labeled)
CID 11702115
Cinnoline
CID 9208

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-phenylpyridazine?
The IUPAC name of 5-tert-butyl-3-phenylpyridazine (CID 15054351) is 5-tert-butyl-3-phenylpyridazine.
What is the SMILES notation for 5-tert-butyl-3-phenylpyridazine?
The canonical SMILES for 5-tert-butyl-3-phenylpyridazine is CC(C)(C)c1cnnc(-c2ccccc2)c1.
What is the InChIKey of 5-tert-butyl-3-phenylpyridazine?
The InChIKey is YMIRPFAZQLVFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-14(2,3)12-9-13(16-15-10-12)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 5-tert-butyl-3-phenylpyridazine?
5-tert-butyl-3-phenylpyridazine has a molecular weight of 212.30 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-phenylpyridazine is sourced from PubChem (CID 15054351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).