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

C17H12N6O — CID 53173260

IUPAC5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCc1nnc2ccc(-c3noc(-c4cccc5[nH]ccc45)n3)cn12
InChIInChI=1S/C17H12N6O/c1-10-20-21-15-6-5-11(9-23(10)15)16-19-17(24-22-16)13-3-2-4-14-12(13)7-8-18-14/h2-9,18H,1H3
InChIKeyILODCQKSHKBBIQ-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.24
Rot. Bonds2

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

5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 53173260) has the molecular formula C17H12N6O and a molecular weight of 316.32 g/mol. Its IUPAC name is 5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID53173260
Molecular FormulaC17H12N6O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC Name5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCc1nnc2ccc(-c3noc(-c4cccc5[nH]ccc45)n3)cn12
InChIInChI=1S/C17H12N6O/c1-10-20-21-15-6-5-11(9-23(10)15)16-19-17(24-22-16)13-3-2-4-14-12(13)7-8-18-14/h2-9,18H,1H3
InChIKeyILODCQKSHKBBIQ-UHFFFAOYSA-N
XLogP3.24
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173292
3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 167833882
3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53173247
3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 29151864
5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 94069309
5-(3-chloro-4-propan-2-yloxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole
CID 141211740
5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173239
3-(1H-indol-4-yl)-5-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-1,2,4-oxadiazole
CID 154752748
5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine
CID 176704747
5-(3-chlorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173299
5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole
CID 166213411
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
CID 135636020

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (CID 53173260) is 5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is Cc1nnc2ccc(-c3noc(-c4cccc5[nH]ccc45)n3)cn12.
What is the InChIKey of 5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is ILODCQKSHKBBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O/c1-10-20-21-15-6-5-11(9-23(10)15)16-19-17(24-22-16)13-3-2-4-14-12(13)7-8-18-14/h2-9,18H,1H3.
What are the key properties of 5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 316.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53173260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).