2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium

C7H7N4Re- — CID 178080183

IUPAC2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium
SMILESCc1cn2ncc(N)[c-]c2n1.[Re]
InChIInChI=1S/C7H7N4.Re/c1-5-4-11-7(10-5)2-6(8)3-9-11;/h3-4H,8H2,1H3;/q-1;
InChIKeyLSOYBKNOCDDXFW-UHFFFAOYSA-N
MW333.37 g/mol
LogP0.42
Rot. Bonds

About 2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium

2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium (PubChem CID 178080183) has the molecular formula C7H7N4Re- and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium.

Molecular Properties

Compound Name2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium
PubChem CID178080183
Molecular FormulaC7H7N4Re-
Molecular Weight333.37 g/mol
Exact Mass334.02
IUPAC Name2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium
SMILESCc1cn2ncc(N)[c-]c2n1.[Re]
InChIInChI=1S/C7H7N4.Re/c1-5-4-11-7(10-5)2-6(8)3-9-11;/h3-4H,8H2,1H3;/q-1;
InChIKeyLSOYBKNOCDDXFW-UHFFFAOYSA-N
XLogP0.42
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium?
The IUPAC name of 2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium (CID 178080183) is 2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium.
What is the SMILES notation for 2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium?
The canonical SMILES for 2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium is Cc1cn2ncc(N)[c-]c2n1.[Re].
What is the InChIKey of 2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium?
The InChIKey is LSOYBKNOCDDXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N4.Re/c1-5-4-11-7(10-5)2-6(8)3-9-11;/h3-4H,8H2,1H3;/q-1;.
What are the key properties of 2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium?
2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium has a molecular weight of 333.37 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8H-imidazo[1,2-b]pyridazin-8-id-7-amine;rhenium is sourced from PubChem (CID 178080183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).