6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C18H17N7O4 — CID 156518847

IUPAC6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCOc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc2c(n1)NCCO2
InChIInChI=1S/C18H17N7O4/c1-10-7-12(24-29-10)17-22-21-15-8-14(26-2)18(23-25(15)17)28-9-11-3-4-13-16(20-11)19-5-6-27-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,20)
InChIKeyMXSQHGKSRDLOSR-UHFFFAOYSA-N
MW395.38 g/mol
LogP1.87
Rot. Bonds5

About 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 156518847) has the molecular formula C18H17N7O4 and a molecular weight of 395.38 g/mol. Its IUPAC name is 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID156518847
Molecular FormulaC18H17N7O4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Name6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCOc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc2c(n1)NCCO2
InChIInChI=1S/C18H17N7O4/c1-10-7-12(24-29-10)17-22-21-15-8-14(26-2)18(23-25(15)17)28-9-11-3-4-13-16(20-11)19-5-6-27-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,20)
InChIKeyMXSQHGKSRDLOSR-UHFFFAOYSA-N
XLogP1.87
TPSA121.72 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 156518847) is 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is COc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc2c(n1)NCCO2.
What is the InChIKey of 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is MXSQHGKSRDLOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O4/c1-10-7-12(24-29-10)17-22-21-15-8-14(26-2)18(23-25(15)17)28-9-11-3-4-13-16(20-11)19-5-6-27-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,20).
What are the key properties of 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 395.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 156518847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).