2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine

C10H10IN3 — CID 118278171

IUPAC2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine
SMILESCc1c(C2CC2)nc2ccc(I)nn12
InChIInChI=1S/C10H10IN3/c1-6-10(7-2-3-7)12-9-5-4-8(11)13-14(6)9/h4-5,7H,2-3H2,1H3
InChIKeyKQTVEBICGDJJKR-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.52
Rot. Bonds1

About 2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine

2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine (PubChem CID 118278171) has the molecular formula C10H10IN3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine
PubChem CID118278171
Molecular FormulaC10H10IN3
Molecular Weight299.12 g/mol
Exact Mass298.99
IUPAC Name2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine
SMILESCc1c(C2CC2)nc2ccc(I)nn12
InChIInChI=1S/C10H10IN3/c1-6-10(7-2-3-7)12-9-5-4-8(11)13-14(6)9/h4-5,7H,2-3H2,1H3
InChIKeyKQTVEBICGDJJKR-UHFFFAOYSA-N
XLogP2.52
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine (CID 118278171) is 2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine is Cc1c(C2CC2)nc2ccc(I)nn12.
What is the InChIKey of 2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine?
The InChIKey is KQTVEBICGDJJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3/c1-6-10(7-2-3-7)12-9-5-4-8(11)13-14(6)9/h4-5,7H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine?
2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine has a molecular weight of 299.12 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-iodo-3-methylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 118278171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).