6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

C38H28F3N19O4 — CID 159322843

IUPAC6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(=O)[nH]1.Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C#N)n1.Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H9F3N6O.C13H9N7O.C12H10N6O2/c1-8-4-9(5-10(19-8)13(14,15)16)12-17-6-22(21-12)3-2-11-20-18-7-23-11;1-9-4-10(5-11(6-14)17-9)13-15-7-20(19-13)3-2-12-18-16-8-21-12;1-8-4-9(5-10(19)15-8)12-13-6-18(17-12)3-2-11-16-14-7-20-11/h2-7H,1H3;2-5,7-8H,1H3;2-7H,1H3,(H,15,19)/b3*3-2-
InChIKeyLDZFCOADJJQDHU-LJEMQVSUSA-N
MW871.76 g/mol
LogP5.16
Rot. Bonds9

About 6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 159322843) has the molecular formula C38H28F3N19O4 and a molecular weight of 871.76 g/mol. Its IUPAC name is 6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
PubChem CID159322843
Molecular FormulaC38H28F3N19O4
Molecular Weight871.76 g/mol
Exact Mass871.25
IUPAC Name6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(=O)[nH]1.Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C#N)n1.Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H9F3N6O.C13H9N7O.C12H10N6O2/c1-8-4-9(5-10(19-8)13(14,15)16)12-17-6-22(21-12)3-2-11-20-18-7-23-11;1-9-4-10(5-11(6-14)17-9)13-15-7-20(19-13)3-2-12-18-16-8-21-12;1-8-4-9(5-10(19)15-8)12-13-6-18(17-12)3-2-11-16-14-7-20-11/h2-7H,1H3;2-5,7-8H,1H3;2-7H,1H3,(H,15,19)/b3*3-2-
InChIKeyLDZFCOADJJQDHU-LJEMQVSUSA-N
XLogP5.16
TPSA291.32 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500871.76
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze 6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134366074

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 159322843) is 6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(=O)[nH]1.Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C#N)n1.Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C(F)(F)F)n1.
What is the InChIKey of 6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is LDZFCOADJJQDHU-LJEMQVSUSA-N. The full InChI is InChI=1S/C13H9F3N6O.C13H9N7O.C12H10N6O2/c1-8-4-9(5-10(19-8)13(14,15)16)12-17-6-22(21-12)3-2-11-20-18-7-23-11;1-9-4-10(5-11(6-14)17-9)13-15-7-20(19-13)3-2-12-18-16-8-21-12;1-8-4-9(5-10(19)15-8)12-13-6-18(17-12)3-2-11-16-14-7-20-11/h2-7H,1H3;2-5,7-8H,1H3;2-7H,1H3,(H,15,19)/b3*3-2-.
What are the key properties of 6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 871.76 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile;6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one;2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 159322843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).