6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile

C13H12N4O — CID 121426233

IUPAC6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
SMILESCc1cn2nc(C3=CCOCC3)cc(C#N)c2n1
InChIInChI=1S/C13H12N4O/c1-9-8-17-13(15-9)11(7-14)6-12(16-17)10-2-4-18-5-3-10/h2,6,8H,3-5H2,1H3
InChIKeyYQZGWRUKBFTATM-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.71
Rot. Bonds1

About 6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile

6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile (PubChem CID 121426233) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile.

Molecular Properties

Compound Name6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
PubChem CID121426233
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
SMILESCc1cn2nc(C3=CCOCC3)cc(C#N)c2n1
InChIInChI=1S/C13H12N4O/c1-9-8-17-13(15-9)11(7-14)6-12(16-17)10-2-4-18-5-3-10/h2,6,8H,3-5H2,1H3
InChIKeyYQZGWRUKBFTATM-UHFFFAOYSA-N
XLogP1.71
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The IUPAC name of 6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile (CID 121426233) is 6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile.
What is the SMILES notation for 6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The canonical SMILES for 6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile is Cc1cn2nc(C3=CCOCC3)cc(C#N)c2n1.
What is the InChIKey of 6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The InChIKey is YQZGWRUKBFTATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-8-17-13(15-9)11(7-14)6-12(16-17)10-2-4-18-5-3-10/h2,6,8H,3-5H2,1H3.
What are the key properties of 6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile is sourced from PubChem (CID 121426233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).