5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

C12H10N6O — CID 80565062

IUPAC5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)NCC2c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C12H10N6O/c1-2-4-9-7(3-1)8(5-13-9)12-16-11(18-19-12)10-14-6-15-17-10/h1-4,6,8,13H,5H2,(H,14,15,17)
InChIKeyJJSFCWIVAMQVNS-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.41
Rot. Bonds2

About 5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 80565062) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID80565062
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)NCC2c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C12H10N6O/c1-2-4-9-7(3-1)8(5-13-9)12-16-11(18-19-12)10-14-6-15-17-10/h1-4,6,8,13H,5H2,(H,14,15,17)
InChIKeyJJSFCWIVAMQVNS-UHFFFAOYSA-N
XLogP1.41
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 80565062) is 5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is c1ccc2c(c1)NCC2c1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is JJSFCWIVAMQVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c1-2-4-9-7(3-1)8(5-13-9)12-16-11(18-19-12)10-14-6-15-17-10/h1-4,6,8,13H,5H2,(H,14,15,17).
What are the key properties of 5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 254.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 80565062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).