6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

C12H9FN4 — CID 12726821

IUPAC6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C12H9FN4/c1-8-14-15-12-7-6-11(16-17(8)12)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKeyNQCXCOXPOKXDNP-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.24
Rot. Bonds1

About 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 12726821) has the molecular formula C12H9FN4 and a molecular weight of 228.23 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID12726821
Molecular FormulaC12H9FN4
Molecular Weight228.23 g/mol
Exact Mass228.08
IUPAC Name6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C12H9FN4/c1-8-14-15-12-7-6-11(16-17(8)12)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKeyNQCXCOXPOKXDNP-UHFFFAOYSA-N
XLogP2.24
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 12726821) is 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2ccc(-c3ccc(F)cc3)nn12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NQCXCOXPOKXDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4/c1-8-14-15-12-7-6-11(16-17(8)12)9-2-4-10(13)5-3-9/h2-7H,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 228.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 12726821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).