ethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid

C10H16BN3O — CID 172582527

IUPACethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid
SMILESCB(O)c1cnn2cc(C)nc2c1.CC
InChIInChI=1S/C8H10BN3O.C2H6/c1-6-5-12-8(11-6)3-7(4-10-12)9(2)13;1-2/h3-5,13H,1-2H3;1-2H3
InChIKeyVFQAYEJFZSHRRO-UHFFFAOYSA-N
MW205.07 g/mol
LogP0.88
Rot. Bonds1

About ethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid

ethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid (PubChem CID 172582527) has the molecular formula C10H16BN3O and a molecular weight of 205.07 g/mol. Its IUPAC name is ethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid.

Molecular Properties

Compound Nameethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid
PubChem CID172582527
Molecular FormulaC10H16BN3O
Molecular Weight205.07 g/mol
Exact Mass205.14
IUPAC Nameethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid
SMILESCB(O)c1cnn2cc(C)nc2c1.CC
InChIInChI=1S/C8H10BN3O.C2H6/c1-6-5-12-8(11-6)3-7(4-10-12)9(2)13;1-2/h3-5,13H,1-2H3;1-2H3
InChIKeyVFQAYEJFZSHRRO-UHFFFAOYSA-N
XLogP0.88
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid?
The IUPAC name of ethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid (CID 172582527) is ethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid.
What is the SMILES notation for ethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid?
The canonical SMILES for ethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid is CB(O)c1cnn2cc(C)nc2c1.CC.
What is the InChIKey of ethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid?
The InChIKey is VFQAYEJFZSHRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BN3O.C2H6/c1-6-5-12-8(11-6)3-7(4-10-12)9(2)13;1-2/h3-5,13H,1-2H3;1-2H3.
What are the key properties of ethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid?
ethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid has a molecular weight of 205.07 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl-(2-methylimidazo[1,2-b]pyridazin-7-yl)borinic acid is sourced from PubChem (CID 172582527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).