4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine

C12H21BN2O2 — CID 145439702

IUPAC4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine
SMILESCCC1C=C(B2OC(C)(C)C(C)(C)O2)N=NC1
InChIInChI=1S/C12H21BN2O2/c1-6-9-7-10(15-14-8-9)13-16-11(2,3)12(4,5)17-13/h7,9H,6,8H2,1-5H3
InChIKeyKEVHOICPLCYSTK-UHFFFAOYSA-N
MW236.12 g/mol
LogP2.99
Rot. Bonds2

About 4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine

4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine (PubChem CID 145439702) has the molecular formula C12H21BN2O2 and a molecular weight of 236.12 g/mol. Its IUPAC name is 4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine.

Molecular Properties

Compound Name4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine
PubChem CID145439702
Molecular FormulaC12H21BN2O2
Molecular Weight236.12 g/mol
Exact Mass236.17
IUPAC Name4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine
SMILESCCC1C=C(B2OC(C)(C)C(C)(C)O2)N=NC1
InChIInChI=1S/C12H21BN2O2/c1-6-9-7-10(15-14-8-9)13-16-11(2,3)12(4,5)17-13/h7,9H,6,8H2,1-5H3
InChIKeyKEVHOICPLCYSTK-UHFFFAOYSA-N
XLogP2.99
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
CID 131503626
2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162450812
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine
CID 175991227
1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 53407213
2-(cyclopropylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 121208003
4,4,5,5-tetramethyl-2-[(3S)-3-methylcyclopenten-1-yl]-1,3,2-dioxaborolane
CID 164872405
2-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 171972793
1,2-diethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
CID 172645067
2-butan-2-yl-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 172645071
4-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 90234004
N,N-dimethyl-1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenta-1,3-dien-1-yl]methanamine
CID 135556156

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine?
The IUPAC name of 4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine (CID 145439702) is 4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine.
What is the SMILES notation for 4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine?
The canonical SMILES for 4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine is CCC1C=C(B2OC(C)(C)C(C)(C)O2)N=NC1.
What is the InChIKey of 4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine?
The InChIKey is KEVHOICPLCYSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BN2O2/c1-6-9-7-10(15-14-8-9)13-16-11(2,3)12(4,5)17-13/h7,9H,6,8H2,1-5H3.
What are the key properties of 4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine?
4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine has a molecular weight of 236.12 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridazine is sourced from PubChem (CID 145439702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).