3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole

C19H19N7O3 — CID 156518788

IUPAC3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
SMILESCOc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc2c(n1)CNCC2
InChIInChI=1S/C19H19N7O3/c1-11-7-14(25-29-11)18-23-22-17-8-16(27-2)19(24-26(17)18)28-10-13-4-3-12-5-6-20-9-15(12)21-13/h3-4,7-8,20H,5-6,9-10H2,1-2H3
InChIKeyQTTUPTQIWNTNKK-UHFFFAOYSA-N
MW393.41 g/mol
LogP1.72
Rot. Bonds5

About 3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole

3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole (PubChem CID 156518788) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
PubChem CID156518788
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
SMILESCOc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc2c(n1)CNCC2
InChIInChI=1S/C19H19N7O3/c1-11-7-14(25-29-11)18-23-22-17-8-16(27-2)19(24-26(17)18)28-10-13-4-3-12-5-6-20-9-15(12)21-13/h3-4,7-8,20H,5-6,9-10H2,1-2H3
InChIKeyQTTUPTQIWNTNKK-UHFFFAOYSA-N
XLogP1.72
TPSA112.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole (CID 156518788) is 3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole is COc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc2c(n1)CNCC2.
What is the InChIKey of 3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is QTTUPTQIWNTNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-11-7-14(25-29-11)18-23-22-17-8-16(27-2)19(24-26(17)18)28-10-13-4-3-12-5-6-20-9-15(12)21-13/h3-4,7-8,20H,5-6,9-10H2,1-2H3.
What are the key properties of 3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 393.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 156518788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).