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

C16H13N5 — CID 82198431

IUPAC1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
SMILESCCc1ccc(-n2nnc(C#N)c2-c2cccnc2)cc1
InChIInChI=1S/C16H13N5/c1-2-12-5-7-14(8-6-12)21-16(15(10-17)19-20-21)13-4-3-9-18-11-13/h3-9,11H,2H2,1H3
InChIKeySYVPRBBTRIDTAQ-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.76
Rot. Bonds3

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

1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile (PubChem CID 82198431) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
PubChem CID82198431
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
SMILESCCc1ccc(-n2nnc(C#N)c2-c2cccnc2)cc1
InChIInChI=1S/C16H13N5/c1-2-12-5-7-14(8-6-12)21-16(15(10-17)19-20-21)13-4-3-9-18-11-13/h3-9,11H,2H2,1H3
InChIKeySYVPRBBTRIDTAQ-UHFFFAOYSA-N
XLogP2.76
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
CID 82199168
1-[4-(dimethylamino)phenyl]-5-pyridin-3-yltriazole-4-carbonitrile
CID 82199669
[1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82198469
1-(4-ethylphenyl)-5-methyltriazole-4-carbonitrile
CID 82198355
1-(4-ethylphenyl)-5-thiophen-2-yltriazole-4-carbonitrile
CID 82198391
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-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile
CID 82203545
5-phenyl-1-(4-propan-2-ylphenyl)triazole-4-carbonitrile
CID 82197634
1-(3,5-dimethylphenyl)-5-phenyltriazole-4-carbonitrile
CID 82198728
3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine
CID 59266244
1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile
CID 94938483

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile?
The IUPAC name of 1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile (CID 82198431) is 1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile.
What is the SMILES notation for 1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile?
The canonical SMILES for 1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile is CCc1ccc(-n2nnc(C#N)c2-c2cccnc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile?
The InChIKey is SYVPRBBTRIDTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-2-12-5-7-14(8-6-12)21-16(15(10-17)19-20-21)13-4-3-9-18-11-13/h3-9,11H,2H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile?
1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile has a molecular weight of 275.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile is sourced from PubChem (CID 82198431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).