5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

C18H16N8O2 — CID 18361875

IUPAC5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCCc1cc(-c2nnc3c4ccccc4c(OCc4ncnn4C)nn23)no1
InChIInChI=1S/C18H16N8O2/c1-3-11-8-14(24-28-11)17-22-21-16-12-6-4-5-7-13(12)18(23-26(16)17)27-9-15-19-10-20-25(15)2/h4-8,10H,3,9H2,1-2H3
InChIKeyDNFRJMNQGKXPGI-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.20
Rot. Bonds5

About 5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (PubChem CID 18361875) has the molecular formula C18H16N8O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
PubChem CID18361875
Molecular FormulaC18H16N8O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCCc1cc(-c2nnc3c4ccccc4c(OCc4ncnn4C)nn23)no1
InChIInChI=1S/C18H16N8O2/c1-3-11-8-14(24-28-11)17-22-21-16-12-6-4-5-7-13(12)18(23-26(16)17)27-9-15-19-10-20-25(15)2/h4-8,10H,3,9H2,1-2H3
InChIKeyDNFRJMNQGKXPGI-UHFFFAOYSA-N
XLogP2.20
TPSA109.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The IUPAC name of 5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (CID 18361875) is 5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The canonical SMILES for 5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is CCc1cc(-c2nnc3c4ccccc4c(OCc4ncnn4C)nn23)no1.
What is the InChIKey of 5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The InChIKey is DNFRJMNQGKXPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O2/c1-3-11-8-14(24-28-11)17-22-21-16-12-6-4-5-7-13(12)18(23-26(16)17)27-9-15-19-10-20-25(15)2/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole has a molecular weight of 376.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 18361875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).