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

C14H10N6O — CID 62945467

IUPAC5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(-c3ncn[nH]3)no2)c2ccccc2n1
InChIInChI=1S/C14H10N6O/c1-8-6-10(9-4-2-3-5-11(9)17-8)14-18-13(20-21-14)12-15-7-16-19-12/h2-7H,1H3,(H,15,16,19)
InChIKeyZZYUMTTWXUCTLN-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.38
Rot. Bonds2

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

5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 62945467) has the molecular formula C14H10N6O and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID62945467
Molecular FormulaC14H10N6O
Molecular Weight278.28 g/mol
Exact Mass278.09
IUPAC Name5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(-c3ncn[nH]3)no2)c2ccccc2n1
InChIInChI=1S/C14H10N6O/c1-8-6-10(9-4-2-3-5-11(9)17-8)14-18-13(20-21-14)12-15-7-16-19-12/h2-7H,1H3,(H,15,16,19)
InChIKeyZZYUMTTWXUCTLN-UHFFFAOYSA-N
XLogP2.38
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 62945467) is 5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is Cc1cc(-c2nc(-c3ncn[nH]3)no2)c2ccccc2n1.
What is the InChIKey of 5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is ZZYUMTTWXUCTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O/c1-8-6-10(9-4-2-3-5-11(9)17-8)14-18-13(20-21-14)12-15-7-16-19-12/h2-7H,1H3,(H,15,16,19).
What are the key properties of 5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 278.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 62945467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).