1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile

C17H14N4O — CID 82196218

IUPAC1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile
SMILESCOc1ccc(-n2nnc(C#N)c2-c2cccc(C)c2)cc1
InChIInChI=1S/C17H14N4O/c1-12-4-3-5-13(10-12)17-16(11-18)19-20-21(17)14-6-8-15(22-2)9-7-14/h3-10H,1-2H3
InChIKeyVACKKDNSLGJGLH-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.12
Rot. Bonds3

About 1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile

1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile (PubChem CID 82196218) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile
PubChem CID82196218
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile
SMILESCOc1ccc(-n2nnc(C#N)c2-c2cccc(C)c2)cc1
InChIInChI=1S/C17H14N4O/c1-12-4-3-5-13(10-12)17-16(11-18)19-20-21(17)14-6-8-15(22-2)9-7-14/h3-10H,1-2H3
InChIKeyVACKKDNSLGJGLH-UHFFFAOYSA-N
XLogP3.12
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylphenyl)-5-phenyltriazole-4-carbonitrile
CID 82198728
1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
CID 82199168
5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile
CID 82197960
1-ethyl-5-(3-methoxyphenyl)triazole-4-carbonitrile
CID 82207275
5-(3-methylphenyl)-1-(2-methylpropyl)triazole-4-carbonitrile
CID 82208597
5-phenyl-1-(4-propan-2-ylphenyl)triazole-4-carbonitrile
CID 82197634
1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 4052140
5-(2-chlorophenyl)-1-(3-methylphenyl)triazole-4-carbonitrile
CID 82198010
[5-(4-methoxyphenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769366
5-(3-methylphenyl)-1-(1-phenylethyl)triazole-4-carbonitrile
CID 82206213
1-(4-chlorophenyl)-5-(3,4-difluorophenyl)triazole-4-carbonitrile
CID 94940131
5-(3-aminophenyl)-1-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 94940637

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile?
The IUPAC name of 1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile (CID 82196218) is 1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile is COc1ccc(-n2nnc(C#N)c2-c2cccc(C)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile?
The InChIKey is VACKKDNSLGJGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-12-4-3-5-13(10-12)17-16(11-18)19-20-21(17)14-6-8-15(22-2)9-7-14/h3-10H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile?
1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile has a molecular weight of 290.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile is sourced from PubChem (CID 82196218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).