6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

C13H9F3N4O — CID 2775307

IUPAC6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc2nnc(-c3ccc(C(F)(F)F)cc3)n2n1
InChIInChI=1S/C13H9F3N4O/c1-21-11-7-6-10-17-18-12(20(10)19-11)8-2-4-9(5-3-8)13(14,15)16/h2-7H,1H3
InChIKeyQYFCMHYWVYOKJR-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.82
Rot. Bonds2

About 6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 2775307) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is 6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID2775307
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc2nnc(-c3ccc(C(F)(F)F)cc3)n2n1
InChIInChI=1S/C13H9F3N4O/c1-21-11-7-6-10-17-18-12(20(10)19-11)8-2-4-9(5-3-8)13(14,15)16/h2-7H,1H3
InChIKeyQYFCMHYWVYOKJR-UHFFFAOYSA-N
XLogP2.82
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 2775307) is 6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc2nnc(-c3ccc(C(F)(F)F)cc3)n2n1.
What is the InChIKey of 6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is QYFCMHYWVYOKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c1-21-11-7-6-10-17-18-12(20(10)19-11)8-2-4-9(5-3-8)13(14,15)16/h2-7H,1H3.
What are the key properties of 6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 294.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 2775307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).