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

C8H9ClN4O — CID 70613182

IUPAC3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)Oc1ccc2nnc(Cl)n2n1
InChIInChI=1S/C8H9ClN4O/c1-5(2)14-7-4-3-6-10-11-8(9)13(6)12-7/h3-5H,1-2H3
InChIKeyXFJWDPLDQQOLLN-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.56
Rot. Bonds2

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

3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 70613182) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID70613182
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)Oc1ccc2nnc(Cl)n2n1
InChIInChI=1S/C8H9ClN4O/c1-5(2)14-7-4-3-6-10-11-8(9)13(6)12-7/h3-5H,1-2H3
InChIKeyXFJWDPLDQQOLLN-UHFFFAOYSA-N
XLogP1.56
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine (CID 70613182) is 3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)Oc1ccc2nnc(Cl)n2n1.
What is the InChIKey of 3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is XFJWDPLDQQOLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c1-5(2)14-7-4-3-6-10-11-8(9)13(6)12-7/h3-5H,1-2H3.
What are the key properties of 3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine?
3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 212.64 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 70613182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).