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

C8H9ClN4 — CID 39732405

IUPAC6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C8H9ClN4/c1-5(2)8-11-10-7-4-3-6(9)12-13(7)8/h3-5H,1-2H3
InChIKeySORYZUZFCWVNBT-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.90
Rot. Bonds1

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

6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 39732405) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID39732405
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C8H9ClN4/c1-5(2)8-11-10-7-4-3-6(9)12-13(7)8/h3-5H,1-2H3
InChIKeySORYZUZFCWVNBT-UHFFFAOYSA-N
XLogP1.90
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 39732405) is 6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)c1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is SORYZUZFCWVNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-5(2)8-11-10-7-4-3-6(9)12-13(7)8/h3-5H,1-2H3.
What are the key properties of 6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 196.64 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 39732405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).