3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine

C13H10ClN5 — CID 139343513

IUPAC3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine
SMILESClc1cc(-c2cnc3ccc(C4CC4)nn23)ncn1
InChIInChI=1S/C13H10ClN5/c14-12-5-10(16-7-17-12)11-6-15-13-4-3-9(8-1-2-8)18-19(11)13/h3-8H,1-2H2
InChIKeyVHYCESAALLJTOG-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.72
Rot. Bonds2

About 3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine

3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine (PubChem CID 139343513) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is 3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine
PubChem CID139343513
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC Name3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine
SMILESClc1cc(-c2cnc3ccc(C4CC4)nn23)ncn1
InChIInChI=1S/C13H10ClN5/c14-12-5-10(16-7-17-12)11-6-15-13-4-3-9(8-1-2-8)18-19(11)13/h3-8H,1-2H2
InChIKeyVHYCESAALLJTOG-UHFFFAOYSA-N
XLogP2.72
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine (CID 139343513) is 3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine is Clc1cc(-c2cnc3ccc(C4CC4)nn23)ncn1.
What is the InChIKey of 3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine?
The InChIKey is VHYCESAALLJTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c14-12-5-10(16-7-17-12)11-6-15-13-4-3-9(8-1-2-8)18-19(11)13/h3-8H,1-2H2.
What are the key properties of 3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine?
3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine has a molecular weight of 271.71 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 139343513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).