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

C9H11ClN4 — CID 58136944

IUPAC6-chloro-3-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2c(C)c(C)c(Cl)nn12
InChIInChI=1S/C9H11ClN4/c1-4-7-11-12-9-6(3)5(2)8(10)13-14(7)9/h4H2,1-3H3
InChIKeyCHIFYEDXPVTPPR-UHFFFAOYSA-N
MW210.67 g/mol
LogP1.96
Rot. Bonds1

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

6-chloro-3-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 58136944) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 6-chloro-3-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID58136944
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name6-chloro-3-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2c(C)c(C)c(Cl)nn12
InChIInChI=1S/C9H11ClN4/c1-4-7-11-12-9-6(3)5(2)8(10)13-14(7)9/h4H2,1-3H3
InChIKeyCHIFYEDXPVTPPR-UHFFFAOYSA-N
XLogP1.96
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 58136944) is 6-chloro-3-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is CCc1nnc2c(C)c(C)c(Cl)nn12.
What is the InChIKey of 6-chloro-3-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is CHIFYEDXPVTPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-4-7-11-12-9-6(3)5(2)8(10)13-14(7)9/h4H2,1-3H3.
What are the key properties of 6-chloro-3-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 210.67 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 58136944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).