5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole

C17H18N8O2 — CID 139921484

IUPAC5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3cc(C4(C)CC4)c(OCc4ncn(C)n4)nn23)no1
InChIInChI=1S/C17H18N8O2/c1-10-6-12(23-27-10)15-20-19-14-7-11(17(2)4-5-17)16(22-25(14)15)26-8-13-18-9-24(3)21-13/h6-7,9H,4-5,8H2,1-3H3
InChIKeyJBDTXJPHRQXTHE-UHFFFAOYSA-N
MW366.39 g/mol
LogP1.85
Rot. Bonds5

About 5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole

5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole (PubChem CID 139921484) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole
PubChem CID139921484
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3cc(C4(C)CC4)c(OCc4ncn(C)n4)nn23)no1
InChIInChI=1S/C17H18N8O2/c1-10-6-12(23-27-10)15-20-19-14-7-11(17(2)4-5-17)16(22-25(14)15)26-8-13-18-9-24(3)21-13/h6-7,9H,4-5,8H2,1-3H3
InChIKeyJBDTXJPHRQXTHE-UHFFFAOYSA-N
XLogP1.85
TPSA109.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole (CID 139921484) is 5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole is Cc1cc(-c2nnc3cc(C4(C)CC4)c(OCc4ncn(C)n4)nn23)no1.
What is the InChIKey of 5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole?
The InChIKey is JBDTXJPHRQXTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c1-10-6-12(23-27-10)15-20-19-14-7-11(17(2)4-5-17)16(22-25(14)15)26-8-13-18-9-24(3)21-13/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole?
5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole has a molecular weight of 366.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 139921484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).