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

C8H7ClN4 — CID 43144393

IUPAC6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(C3CC3)n2n1
InChIInChI=1S/C8H7ClN4/c9-6-3-4-7-10-11-8(5-1-2-5)13(7)12-6/h3-5H,1-2H2
InChIKeyVJYULOBBCNCMJY-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.66
Rot. Bonds1

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

6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 43144393) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID43144393
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(C3CC3)n2n1
InChIInChI=1S/C8H7ClN4/c9-6-3-4-7-10-11-8(5-1-2-5)13(7)12-6/h3-5H,1-2H2
InChIKeyVJYULOBBCNCMJY-UHFFFAOYSA-N
XLogP1.66
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 43144393) is 6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc2nnc(C3CC3)n2n1.
What is the InChIKey of 6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is VJYULOBBCNCMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-6-3-4-7-10-11-8(5-1-2-5)13(7)12-6/h3-5H,1-2H2.
What are the key properties of 6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 194.62 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 43144393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).