1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile

C15H11N5 — CID 82199168

IUPAC1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
SMILESCc1ccc(-n2nnc(C#N)c2-c2cccnc2)cc1
InChIInChI=1S/C15H11N5/c1-11-4-6-13(7-5-11)20-15(14(9-16)18-19-20)12-3-2-8-17-10-12/h2-8,10H,1H3
InChIKeyOIYPOQLTLVNHBO-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.51
Rot. Bonds2

About 1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile

1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile (PubChem CID 82199168) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
PubChem CID82199168
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
SMILESCc1ccc(-n2nnc(C#N)c2-c2cccnc2)cc1
InChIInChI=1S/C15H11N5/c1-11-4-6-13(7-5-11)20-15(14(9-16)18-19-20)12-3-2-8-17-10-12/h2-8,10H,1H3
InChIKeyOIYPOQLTLVNHBO-UHFFFAOYSA-N
XLogP2.51
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
CID 82199035
N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide
CID 82199346
1-(3,5-dimethylphenyl)-5-phenyltriazole-4-carbonitrile
CID 82198728
5-(2-chlorophenyl)-1-(4-methylphenyl)triazole-4-carbonitrile
CID 82199162
1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile
CID 82196218
5-phenyl-1-(4-propan-2-ylphenyl)triazole-4-carbonitrile
CID 82197634
1-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)triazole-4-carbonitrile
CID 82196931
5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)triazole-4-carbonitrile
CID 82220819
3-[4-[3,5-bis(4-methylphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine
CID 59266205
1-(4-methylphenyl)-5-(2-methylpropyl)triazole-4-carbonitrile
CID 82199103

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile?
The IUPAC name of 1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile (CID 82199168) is 1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile.
What is the SMILES notation for 1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile?
The canonical SMILES for 1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile is Cc1ccc(-n2nnc(C#N)c2-c2cccnc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile?
The InChIKey is OIYPOQLTLVNHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c1-11-4-6-13(7-5-11)20-15(14(9-16)18-19-20)12-3-2-8-17-10-12/h2-8,10H,1H3.
What are the key properties of 1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile?
1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile has a molecular weight of 261.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile is sourced from PubChem (CID 82199168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).