3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine

C17H18N4O — CID 171358968

IUPAC3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine
SMILESCC1NCCOC1c1ccc(-c2cnn3ncccc23)cc1
InChIInChI=1S/C17H18N4O/c1-12-17(22-10-9-18-12)14-6-4-13(5-7-14)15-11-20-21-16(15)3-2-8-19-21/h2-8,11-12,17-18H,9-10H2,1H3
InChIKeyONZNBQBNUGKAMZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.45
Rot. Bonds2

About 3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine

3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine (PubChem CID 171358968) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine.

Molecular Properties

Compound Name3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine
PubChem CID171358968
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine
SMILESCC1NCCOC1c1ccc(-c2cnn3ncccc23)cc1
InChIInChI=1S/C17H18N4O/c1-12-17(22-10-9-18-12)14-6-4-13(5-7-14)15-11-20-21-16(15)3-2-8-19-21/h2-8,11-12,17-18H,9-10H2,1H3
InChIKeyONZNBQBNUGKAMZ-UHFFFAOYSA-N
XLogP2.45
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine?
The IUPAC name of 3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine (CID 171358968) is 3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine.
What is the SMILES notation for 3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine?
The canonical SMILES for 3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine is CC1NCCOC1c1ccc(-c2cnn3ncccc23)cc1.
What is the InChIKey of 3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine?
The InChIKey is ONZNBQBNUGKAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-17(22-10-9-18-12)14-6-4-13(5-7-14)15-11-20-21-16(15)3-2-8-19-21/h2-8,11-12,17-18H,9-10H2,1H3.
What are the key properties of 3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine?
3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine has a molecular weight of 294.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)morpholine is sourced from PubChem (CID 171358968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).