3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole

C18H13N7O2 — CID 18361788

IUPAC3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)n1
InChIInChI=1S/C18H13N7O2/c1-11-20-18(27-24-11)16-22-21-15-13-7-2-3-8-14(13)17(23-25(15)16)26-10-12-6-4-5-9-19-12/h2-9H,10H2,1H3
InChIKeyWDLLZTPBOOCINP-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.61
Rot. Bonds4

About 3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole

3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole (PubChem CID 18361788) has the molecular formula C18H13N7O2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole
PubChem CID18361788
Molecular FormulaC18H13N7O2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC Name3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)n1
InChIInChI=1S/C18H13N7O2/c1-11-20-18(27-24-11)16-22-21-15-13-7-2-3-8-14(13)17(23-25(15)16)26-10-12-6-4-5-9-19-12/h2-9H,10H2,1H3
InChIKeyWDLLZTPBOOCINP-UHFFFAOYSA-N
XLogP2.61
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-(4-methylphenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11280077
8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11176067
3-methyl-5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-1,2,4-oxadiazole
CID 11475165
(2S)-4-methylsulfanyl-2-[[3-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazol-5-yl]amino]butanoic acid
CID 121362264
3-methyl-5-[9-(pyridin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-1,2,4-oxadiazole
CID 11429190
6-(4-methylphenyl)-9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11176956
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
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-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine
CID 11372475
5-methyl-3-[6-[3-(6-methyl-2-pyridinyl)propoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
CID 18361840
1,4-dimethylpiperazine;6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carbaldehyde
CID 145324816
methyl 2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxylate
CID 175878042

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole (CID 18361788) is 3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole is Cc1noc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)n1.
What is the InChIKey of 3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole?
The InChIKey is WDLLZTPBOOCINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O2/c1-11-20-18(27-24-11)16-22-21-15-13-7-2-3-8-14(13)17(23-25(15)16)26-10-12-6-4-5-9-19-12/h2-9H,10H2,1H3.
What are the key properties of 3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole has a molecular weight of 359.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 18361788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).