6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine

C18H18N6O — CID 170593579

IUPAC6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCOc1cc(-c2cc(C)c3nc(C)nn3n2)cn2cc(C3CC3)nc12
InChIInChI=1S/C18H18N6O/c1-10-6-14(22-24-17(10)19-11(2)21-24)13-7-16(25-3)18-20-15(12-4-5-12)9-23(18)8-13/h6-9,12H,4-5H2,1-3H3
InChIKeyVJGWVZGTFUBCEV-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.94
Rot. Bonds3

About 6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine

6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 170593579) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID170593579
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCOc1cc(-c2cc(C)c3nc(C)nn3n2)cn2cc(C3CC3)nc12
InChIInChI=1S/C18H18N6O/c1-10-6-14(22-24-17(10)19-11(2)21-24)13-7-16(25-3)18-20-15(12-4-5-12)9-23(18)8-13/h6-9,12H,4-5H2,1-3H3
InChIKeyVJGWVZGTFUBCEV-UHFFFAOYSA-N
XLogP2.94
TPSA69.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine (CID 170593579) is 6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine is COc1cc(-c2cc(C)c3nc(C)nn3n2)cn2cc(C3CC3)nc12.
What is the InChIKey of 6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is VJGWVZGTFUBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-10-6-14(22-24-17(10)19-11(2)21-24)13-7-16(25-3)18-20-15(12-4-5-12)9-23(18)8-13/h6-9,12H,4-5H2,1-3H3.
What are the key properties of 6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 334.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 170593579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).