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

C17H19N9O2 — CID 67485672

IUPAC5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3cc(N4CCCC4)c(OCc4ncn(C)n4)nn23)no1
InChIInChI=1S/C17H19N9O2/c1-11-7-12(23-28-11)16-20-19-15-8-13(25-5-3-4-6-25)17(22-26(15)16)27-9-14-18-10-24(2)21-14/h7-8,10H,3-6,9H2,1-2H3
InChIKeyUWXFOWSVWFVVFR-UHFFFAOYSA-N
MW381.40 g/mol
LogP1.40
Rot. Bonds5

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

5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole (PubChem CID 67485672) has the molecular formula C17H19N9O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole
PubChem CID67485672
Molecular FormulaC17H19N9O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3cc(N4CCCC4)c(OCc4ncn(C)n4)nn23)no1
InChIInChI=1S/C17H19N9O2/c1-11-7-12(23-28-11)16-20-19-15-8-13(25-5-3-4-6-25)17(22-26(15)16)27-9-14-18-10-24(2)21-14/h7-8,10H,3-6,9H2,1-2H3
InChIKeyUWXFOWSVWFVVFR-UHFFFAOYSA-N
XLogP1.40
TPSA112.29 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.40
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole (CID 67485672) is 5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole is Cc1cc(-c2nnc3cc(N4CCCC4)c(OCc4ncn(C)n4)nn23)no1.
What is the InChIKey of 5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole?
The InChIKey is UWXFOWSVWFVVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9O2/c1-11-7-12(23-28-11)16-20-19-15-8-13(25-5-3-4-6-25)17(22-26(15)16)27-9-14-18-10-24(2)21-14/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole?
5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole has a molecular weight of 381.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 67485672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).