7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine

C20H19FN6O — CID 22609895

IUPAC7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1nccc1COc1nn2c(-c3ccccc3F)nnc2cc1C1CCC1
InChIInChI=1S/C20H19FN6O/c1-26-14(9-10-22-26)12-28-20-16(13-5-4-6-13)11-18-23-24-19(27(18)25-20)15-7-2-3-8-17(15)21/h2-3,7-11,13H,4-6,12H2,1H3
InChIKeyQJJMDSULGYDHSB-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.51
Rot. Bonds5

About 7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine

7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 22609895) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID22609895
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1nccc1COc1nn2c(-c3ccccc3F)nnc2cc1C1CCC1
InChIInChI=1S/C20H19FN6O/c1-26-14(9-10-22-26)12-28-20-16(13-5-4-6-13)11-18-23-24-19(27(18)25-20)15-7-2-3-8-17(15)21/h2-3,7-11,13H,4-6,12H2,1H3
InChIKeyQJJMDSULGYDHSB-UHFFFAOYSA-N
XLogP3.51
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine (CID 22609895) is 7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine is Cn1nccc1COc1nn2c(-c3ccccc3F)nnc2cc1C1CCC1.
What is the InChIKey of 7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is QJJMDSULGYDHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-26-14(9-10-22-26)12-28-20-16(13-5-4-6-13)11-18-23-24-19(27(18)25-20)15-7-2-3-8-17(15)21/h2-3,7-11,13H,4-6,12H2,1H3.
What are the key properties of 7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 378.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-3-(2-fluorophenyl)-6-[(2-methylpyrazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 22609895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).