7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine

C21H16N6O2 — CID 25065971

IUPAC7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine
SMILESCOc1cc2nccc(OCc3nnc4ccc(-c5ccccc5)nn34)c2cn1
InChIInChI=1S/C21H16N6O2/c1-28-21-11-17-15(12-23-21)18(9-10-22-17)29-13-20-25-24-19-8-7-16(26-27(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyCJLPABYSDZIEPI-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.32
Rot. Bonds5

About 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine

7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine (PubChem CID 25065971) has the molecular formula C21H16N6O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine.

Molecular Properties

Compound Name7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine
PubChem CID25065971
Molecular FormulaC21H16N6O2
Molecular Weight384.40 g/mol
Exact Mass384.13
IUPAC Name7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine
SMILESCOc1cc2nccc(OCc3nnc4ccc(-c5ccccc5)nn34)c2cn1
InChIInChI=1S/C21H16N6O2/c1-28-21-11-17-15(12-23-21)18(9-10-22-17)29-13-20-25-24-19-8-7-16(26-27(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyCJLPABYSDZIEPI-UHFFFAOYSA-N
XLogP3.32
TPSA87.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine?
The IUPAC name of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine (CID 25065971) is 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine.
What is the SMILES notation for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine?
The canonical SMILES for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine is COc1cc2nccc(OCc3nnc4ccc(-c5ccccc5)nn34)c2cn1.
What is the InChIKey of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine?
The InChIKey is CJLPABYSDZIEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O2/c1-28-21-11-17-15(12-23-21)18(9-10-22-17)29-13-20-25-24-19-8-7-16(26-27(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3.
What are the key properties of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine?
7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine has a molecular weight of 384.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine is sourced from PubChem (CID 25065971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).