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

C11H15ClN4 — CID 58136822

IUPAC6-chloro-7,8-dimethyl-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(CC(C)C)nnc2c1C
InChIInChI=1S/C11H15ClN4/c1-6(2)5-9-13-14-11-8(4)7(3)10(12)15-16(9)11/h6H,5H2,1-4H3
InChIKeyIIICPWOTSWSCMV-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.59
Rot. Bonds2

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

6-chloro-7,8-dimethyl-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 58136822) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 6-chloro-7,8-dimethyl-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-7,8-dimethyl-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID58136822
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name6-chloro-7,8-dimethyl-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(CC(C)C)nnc2c1C
InChIInChI=1S/C11H15ClN4/c1-6(2)5-9-13-14-11-8(4)7(3)10(12)15-16(9)11/h6H,5H2,1-4H3
InChIKeyIIICPWOTSWSCMV-UHFFFAOYSA-N
XLogP2.59
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7,8-dimethyl-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-7,8-dimethyl-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 58136822) is 6-chloro-7,8-dimethyl-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-7,8-dimethyl-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-7,8-dimethyl-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1c(Cl)nn2c(CC(C)C)nnc2c1C.
What is the InChIKey of 6-chloro-7,8-dimethyl-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is IIICPWOTSWSCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-6(2)5-9-13-14-11-8(4)7(3)10(12)15-16(9)11/h6H,5H2,1-4H3.
What are the key properties of 6-chloro-7,8-dimethyl-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-7,8-dimethyl-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 238.72 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7,8-dimethyl-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 58136822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).