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

C18H16N8O2 — CID 18361844

IUPAC3-[6-[(1-propyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCCCn1cnc(COc2nn3c(-c4ccon4)nnc3c3ccccc23)n1
InChIInChI=1S/C18H16N8O2/c1-2-8-25-11-19-15(22-25)10-27-18-13-6-4-3-5-12(13)16-20-21-17(26(16)23-18)14-7-9-28-24-14/h3-7,9,11H,2,8,10H2,1H3
InChIKeySPBRUJKTTHVFRY-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.51
Rot. Bonds6

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

3-[6-[(1-propyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (PubChem CID 18361844) has the molecular formula C18H16N8O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 3-[6-[(1-propyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[6-[(1-propyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
PubChem CID18361844
Molecular FormulaC18H16N8O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name3-[6-[(1-propyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCCCn1cnc(COc2nn3c(-c4ccon4)nnc3c3ccccc23)n1
InChIInChI=1S/C18H16N8O2/c1-2-8-25-11-19-15(22-25)10-27-18-13-6-4-3-5-12(13)16-20-21-17(26(16)23-18)14-7-9-28-24-14/h3-7,9,11H,2,8,10H2,1H3
InChIKeySPBRUJKTTHVFRY-UHFFFAOYSA-N
XLogP2.51
TPSA109.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
CID 70106251
N,N-dimethyl-2-[5-[[3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]ethanamine
CID 131724950
5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole
CID 18361782
3-[7-(cyclobutadienyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole
CID 67486268
3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
CID 18361833
3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole
CID 18361788
N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine
CID 70098294
3-[6-[[3-(2-bromoethyl)triazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
CID 131724937
6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxylic acid
CID 139493946
3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11280077
N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine
CID 10227387
3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine
CID 11372475

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1-propyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The IUPAC name of 3-[6-[(1-propyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (CID 18361844) is 3-[6-[(1-propyl-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 3-[6-[(1-propyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The canonical SMILES for 3-[6-[(1-propyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is CCCn1cnc(COc2nn3c(-c4ccon4)nnc3c3ccccc23)n1.
What is the InChIKey of 3-[6-[(1-propyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The InChIKey is SPBRUJKTTHVFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O2/c1-2-8-25-11-19-15(22-25)10-27-18-13-6-4-3-5-12(13)16-20-21-17(26(16)23-18)14-7-9-28-24-14/h3-7,9,11H,2,8,10H2,1H3.
What are the key properties of 3-[6-[(1-propyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
3-[6-[(1-propyl-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 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(1-propyl-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 18361844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).