3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole

C10H8ClN5O — CID 81442402

IUPAC3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole
SMILESCc1c(Cl)nn2c(-c3ccon3)nnc2c1C
InChIInChI=1S/C10H8ClN5O/c1-5-6(2)9-12-13-10(7-3-4-17-15-7)16(9)14-8(5)11/h3-4H,1-2H3
InChIKeyDAQCFJHXDDSTOA-UHFFFAOYSA-N
MW249.66 g/mol
LogP2.05
Rot. Bonds1

About 3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole

3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole (PubChem CID 81442402) has the molecular formula C10H8ClN5O and a molecular weight of 249.66 g/mol. Its IUPAC name is 3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole
PubChem CID81442402
Molecular FormulaC10H8ClN5O
Molecular Weight249.66 g/mol
Exact Mass249.04
IUPAC Name3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole
SMILESCc1c(Cl)nn2c(-c3ccon3)nnc2c1C
InChIInChI=1S/C10H8ClN5O/c1-5-6(2)9-12-13-10(7-3-4-17-15-7)16(9)14-8(5)11/h3-4H,1-2H3
InChIKeyDAQCFJHXDDSTOA-UHFFFAOYSA-N
XLogP2.05
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole?
The IUPAC name of 3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole (CID 81442402) is 3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole.
What is the SMILES notation for 3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole?
The canonical SMILES for 3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole is Cc1c(Cl)nn2c(-c3ccon3)nnc2c1C.
What is the InChIKey of 3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole?
The InChIKey is DAQCFJHXDDSTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O/c1-5-6(2)9-12-13-10(7-3-4-17-15-7)16(9)14-8(5)11/h3-4H,1-2H3.
What are the key properties of 3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole?
3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole has a molecular weight of 249.66 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2-oxazole is sourced from PubChem (CID 81442402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).