6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C10H13ClN4O — CID 81440751

IUPAC6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOCCc1nnc2c(C)c(C)c(Cl)nn12
InChIInChI=1S/C10H13ClN4O/c1-6-7(2)10-13-12-8(4-5-16-3)15(10)14-9(6)11/h4-5H2,1-3H3
InChIKeyREZUVUVUCNKCAP-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.58
Rot. Bonds3

About 6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 81440751) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID81440751
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOCCc1nnc2c(C)c(C)c(Cl)nn12
InChIInChI=1S/C10H13ClN4O/c1-6-7(2)10-13-12-8(4-5-16-3)15(10)14-9(6)11/h4-5H2,1-3H3
InChIKeyREZUVUVUCNKCAP-UHFFFAOYSA-N
XLogP1.58
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 81440751) is 6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is COCCc1nnc2c(C)c(C)c(Cl)nn12.
What is the InChIKey of 6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is REZUVUVUCNKCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-6-7(2)10-13-12-8(4-5-16-3)15(10)14-9(6)11/h4-5H2,1-3H3.
What are the key properties of 6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 240.69 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-methoxyethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 81440751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).