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

C7H7ClN4 — CID 38999958

IUPAC6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2ccc(Cl)nn12
InChIInChI=1S/C7H7ClN4/c1-2-6-9-10-7-4-3-5(8)11-12(6)7/h3-4H,2H2,1H3
InChIKeyFXGLEUMJGWWUAL-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.34
Rot. Bonds1

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

6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 38999958) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID38999958
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2ccc(Cl)nn12
InChIInChI=1S/C7H7ClN4/c1-2-6-9-10-7-4-3-5(8)11-12(6)7/h3-4H,2H2,1H3
InChIKeyFXGLEUMJGWWUAL-UHFFFAOYSA-N
XLogP1.34
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine
CID 613657
6-Chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 1472385
6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine
CID 313624
3,6-Dichloro[1,2,4]triazolo[4,3-b]pyridazine
CID 1482346
6-Chloro-3-[chloro(difluoro)methyl][1,2,4]triazolo[4,3-b]pyridazine
CID 1489114
6-Chloro-3-methyl-(1,2,4)triazolo(4,3-b)pyridazine
CID 911387
6-Chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 71756812
3-(Trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazin-6-amine
CID 4915708
3-Methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
6-Chloro-3-cyclopropyl-(1,2,4)triazolo(4,3-b)pyridazine
CID 43144393
6-Chloro-3-(propan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 39732405
3-{6-Chloro-[1,2,4]triazolo[4,3-B]pyridazin-3-YL}propanoic acid
CID 6624824

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 38999958) is 6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine is CCc1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is FXGLEUMJGWWUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-2-6-9-10-7-4-3-5(8)11-12(6)7/h3-4H,2H2,1H3.
What are the key properties of 6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 182.61 g/mol, XLogP of 1.34, 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-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 38999958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).