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

C13H9N7O — CID 159322844

IUPAC6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
SMILESCc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C#N)n1
InChIInChI=1S/C13H9N7O/c1-9-4-10(5-11(6-14)17-9)13-15-7-20(19-13)3-2-12-18-16-8-21-12/h2-5,7-8H,1H3/b3-2-
InChIKeyGPZPAKVCEDXDII-IHWYPQMZSA-N
MW279.26 g/mol
LogP1.53
Rot. Bonds3

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]pyridine-2-carbonitrile (PubChem CID 159322844) has the molecular formula C13H9N7O and a molecular weight of 279.26 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.

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
PubChem CID159322844
Molecular FormulaC13H9N7O
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
SMILESCc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C#N)n1
InChIInChI=1S/C13H9N7O/c1-9-4-10(5-11(6-14)17-9)13-15-7-20(19-13)3-2-12-18-16-8-21-12/h2-5,7-8H,1H3/b3-2-
InChIKeyGPZPAKVCEDXDII-IHWYPQMZSA-N
XLogP1.53
TPSA106.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
4-[2-(Methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
CID 23117302
3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]benzonitrile
CID 70847582
2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 70847606
2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 89027365
2-[(Z)-2-[3-(3-isocyano-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 89027489
2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 160594113
4-[1-(Methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
CID 176474084

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?
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 (CID 159322844) is 6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile.
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?
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 is Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C#N)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?
The InChIKey is GPZPAKVCEDXDII-IHWYPQMZSA-N. The full InChI is InChI=1S/C13H9N7O/c1-9-4-10(5-11(6-14)17-9)13-15-7-20(19-13)3-2-12-18-16-8-21-12/h2-5,7-8H,1H3/b3-2-.
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]pyridine-2-carbonitrile has a molecular weight of 279.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 8 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 is sourced from PubChem (CID 159322844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).