6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine

C7H7ClN4 — CID 15234878

IUPAC6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCc1c(Cl)nn2ncnc2c1C
InChIInChI=1S/C7H7ClN4/c1-4-5(2)7-9-3-10-12(7)11-6(4)8/h3H,1-2H3
InChIKeyHGOLMWHEBKMOLM-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.39
Rot. Bonds

About 6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine

6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 15234878) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID15234878
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCc1c(Cl)nn2ncnc2c1C
InChIInChI=1S/C7H7ClN4/c1-4-5(2)7-9-3-10-12(7)11-6(4)8/h3H,1-2H3
InChIKeyHGOLMWHEBKMOLM-UHFFFAOYSA-N
XLogP1.39
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.39
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-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine (CID 15234878) is 6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine is Cc1c(Cl)nn2ncnc2c1C.
What is the InChIKey of 6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is HGOLMWHEBKMOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-4-5(2)7-9-3-10-12(7)11-6(4)8/h3H,1-2H3.
What are the key properties of 6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 182.61 g/mol, XLogP of 1.39, 0 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-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 15234878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).