1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole

C11H11N3O — CID 141010100

IUPAC1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole
SMILESC=Cn1ncnc1-c1ccc(OC)cc1
InChIInChI=1S/C11H11N3O/c1-3-14-11(12-8-13-14)9-4-6-10(15-2)7-5-9/h3-8H,1H2,2H3
InChIKeyNQCYBEQPZJWYKX-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.05
Rot. Bonds3

About 1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole

1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole (PubChem CID 141010100) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole
PubChem CID141010100
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole
SMILESC=Cn1ncnc1-c1ccc(OC)cc1
InChIInChI=1S/C11H11N3O/c1-3-14-11(12-8-13-14)9-4-6-10(15-2)7-5-9/h3-8H,1H2,2H3
InChIKeyNQCYBEQPZJWYKX-UHFFFAOYSA-N
XLogP2.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazole
CID 22661044
6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17190652
3-(4-methoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-4-amine
CID 19194749
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole
CID 31196241
3-[2-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzaldehyde
CID 21180435
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 83888228
ethyl 2-ethenyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 22452257
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine
CID 59439786
1-hydroxy-2-(4-methoxyphenyl)-4,5-dimethylimidazole
CID 124791165

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole (CID 141010100) is 1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole is C=Cn1ncnc1-c1ccc(OC)cc1.
What is the InChIKey of 1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole?
The InChIKey is NQCYBEQPZJWYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-3-14-11(12-8-13-14)9-4-6-10(15-2)7-5-9/h3-8H,1H2,2H3.
What are the key properties of 1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole?
1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole has a molecular weight of 201.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 141010100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).