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

C18H16N8O2 — CID 18361723

IUPAC3-[6-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
SMILESCCn1cnc(COc2nn3c(-c4cc(C)on4)nnc3c3ccccc23)n1
InChIInChI=1S/C18H16N8O2/c1-3-25-10-19-15(22-25)9-27-18-13-7-5-4-6-12(13)16-20-21-17(26(16)23-18)14-8-11(2)28-24-14/h4-8,10H,3,9H2,1-2H3
InChIKeyBLTXVBHKOZBOQB-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.43
Rot. Bonds5

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

3-[6-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole (PubChem CID 18361723) has the molecular formula C18H16N8O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 3-[6-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[6-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
PubChem CID18361723
Molecular FormulaC18H16N8O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name3-[6-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
SMILESCCn1cnc(COc2nn3c(-c4cc(C)on4)nnc3c3ccccc23)n1
InChIInChI=1S/C18H16N8O2/c1-3-25-10-19-15(22-25)9-27-18-13-7-5-4-6-12(13)16-20-21-17(26(16)23-18)14-8-11(2)28-24-14/h4-8,10H,3,9H2,1-2H3
InChIKeyBLTXVBHKOZBOQB-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[6-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole (CID 18361723) is 3-[6-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[6-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[6-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole is CCn1cnc(COc2nn3c(-c4cc(C)on4)nnc3c3ccccc23)n1.
What is the InChIKey of 3-[6-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is BLTXVBHKOZBOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O2/c1-3-25-10-19-15(22-25)9-27-18-13-7-5-4-6-12(13)16-20-21-17(26(16)23-18)14-8-11(2)28-24-14/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 3-[6-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
3-[6-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 376.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 18361723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).