2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

C12H9ClN6O — CID 89027365

IUPAC2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(Cl)n1
InChIInChI=1S/C12H9ClN6O/c1-8-4-9(5-10(13)16-8)12-14-6-19(18-12)3-2-11-17-15-7-20-11/h2-7H,1H3/b3-2-
InChIKeyWPGATJZBUXIIQQ-IHWYPQMZSA-N
MW288.70 g/mol
LogP2.31
Rot. Bonds3

About 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 89027365) has the molecular formula C12H9ClN6O and a molecular weight of 288.70 g/mol. Its IUPAC name is 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
PubChem CID89027365
Molecular FormulaC12H9ClN6O
Molecular Weight288.70 g/mol
Exact Mass288.05
IUPAC Name2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(Cl)n1
InChIInChI=1S/C12H9ClN6O/c1-8-4-9(5-10(13)16-8)12-14-6-19(18-12)3-2-11-17-15-7-20-11/h2-7H,1H3/b3-2-
InChIKeyWPGATJZBUXIIQQ-IHWYPQMZSA-N
XLogP2.31
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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
2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)pyridin-4-yl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 134366078
2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 159322845
(Z)-2-(2-(3-(2-chloro-6-methoxypyridin-4-yl)-1H-1,2,4-triazol-1-yl)vinyl)-1,3,4-oxadiazole
CID 57524120
(Z)-2-(2-(3-(3-chlorophenyl)-1H-1,2,4-triazol-1-yl)vinyl)-1,3,4-oxadiazole
CID 57524351
2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 57524352
2-[2-[3-(3-Chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 70566808
2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 70847606
2-[2-[3-(2-Chloro-6-methoxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 76555431
4-[(6-Chloro-3-pyridinyl)methyl]-5-methyl-2-prop-2-enoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 118594668
6-chloro-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde
CID 137482097
2-[1-[(2-chloro-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,4-oxadiazole
CID 144580752

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 89027365) is 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(Cl)n1.
What is the InChIKey of 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is WPGATJZBUXIIQQ-IHWYPQMZSA-N. The full InChI is InChI=1S/C12H9ClN6O/c1-8-4-9(5-10(13)16-8)12-14-6-19(18-12)3-2-11-17-15-7-20-11/h2-7H,1H3/b3-2-.
What are the key properties of 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 288.70 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 89027365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).