1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile

C15H11N5O — CID 82199035

IUPAC1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
SMILESCOc1ccccc1-n1nnc(C#N)c1-c1cccnc1
InChIInChI=1S/C15H11N5O/c1-21-14-7-3-2-6-13(14)20-15(12(9-16)18-19-20)11-5-4-8-17-10-11/h2-8,10H,1H3
InChIKeySMJSNSXRWWXPIV-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.21
Rot. Bonds3

About 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile

1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile (PubChem CID 82199035) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
PubChem CID82199035
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
SMILESCOc1ccccc1-n1nnc(C#N)c1-c1cccnc1
InChIInChI=1S/C15H11N5O/c1-21-14-7-3-2-6-13(14)20-15(12(9-16)18-19-20)11-5-4-8-17-10-11/h2-8,10H,1H3
InChIKeySMJSNSXRWWXPIV-UHFFFAOYSA-N
XLogP2.21
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid
CID 56768698
5-(furan-2-yl)-1-(2-methoxyphenyl)triazole-4-carbonitrile
CID 82199008
1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
CID 82199168
1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
CID 82198431
1-[4-(dimethylamino)phenyl]-5-pyridin-3-yltriazole-4-carbonitrile
CID 82199669
[1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82197503
N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide
CID 82199346
1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid
CID 56768648
3-(2-methoxyphenyl)pyridine
CID 4133297
1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile
CID 82203545
1-(2-methoxyphenyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 45030984
1-(2-methoxyphenyl)benzotriazole
CID 53415460

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile?
The IUPAC name of 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile (CID 82199035) is 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile?
The canonical SMILES for 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile is COc1ccccc1-n1nnc(C#N)c1-c1cccnc1.
What is the InChIKey of 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile?
The InChIKey is SMJSNSXRWWXPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c1-21-14-7-3-2-6-13(14)20-15(12(9-16)18-19-20)11-5-4-8-17-10-11/h2-8,10H,1H3.
What are the key properties of 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile?
1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile has a molecular weight of 277.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile is sourced from PubChem (CID 82199035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).