5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile

C14H16N4 — CID 82204999

IUPAC5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile
SMILESCCCn1nnc(C#N)c1CCc1ccccc1
InChIInChI=1S/C14H16N4/c1-2-10-18-14(13(11-15)16-17-18)9-8-12-6-4-3-5-7-12/h3-7H,2,8-10H2,1H3
InChIKeyONFIZOVNOLFLEM-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.34
Rot. Bonds5

About 5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile

5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile (PubChem CID 82204999) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile
PubChem CID82204999
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile
SMILESCCCn1nnc(C#N)c1CCc1ccccc1
InChIInChI=1S/C14H16N4/c1-2-10-18-14(13(11-15)16-17-18)9-8-12-6-4-3-5-7-12/h3-7H,2,8-10H2,1H3
InChIKeyONFIZOVNOLFLEM-UHFFFAOYSA-N
XLogP2.34
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(2-phenylethyl)triazole-4-carbonitrile
CID 82207738
5-(3-phenoxypropyl)-1-propyltriazole-4-carbonitrile
CID 82205011
5-benzyl-1-heptyltriazole-4-carbonitrile
CID 82208067
5-[(E)-2-phenylethenyl]-1-propyltriazole-4-carbonitrile
CID 82205093
1,5-dibenzyltriazole-4-carbonitrile
CID 82203072
5-[2-(4-methylphenyl)ethyl]-1-phenyltriazole-4-carbonitrile
CID 82200234
5-[(4-methoxyphenyl)methyl]-1-propyltriazole-4-carbonitrile
CID 82204993
5-[2-(4-methylphenyl)ethyl]-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbonitrile
CID 94946186
4-bromo-1-ethyl-5-(2-phenylethyl)pyrazole-3-carbonitrile
CID 91314075
5-[(2,6-dimethylphenoxy)methyl]-1-propyltriazole-4-carbonitrile
CID 82205041
5-(4-methylphenyl)-1-(3-phenylpropyl)triazole-4-carbonitrile
CID 82208924
5-butyl-1-[(4-chlorophenyl)methyl]triazole-4-carbonitrile
CID 82203308

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile?
The IUPAC name of 5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile (CID 82204999) is 5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile.
What is the SMILES notation for 5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile?
The canonical SMILES for 5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile is CCCn1nnc(C#N)c1CCc1ccccc1.
What is the InChIKey of 5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile?
The InChIKey is ONFIZOVNOLFLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-10-18-14(13(11-15)16-17-18)9-8-12-6-4-3-5-7-12/h3-7H,2,8-10H2,1H3.
What are the key properties of 5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile?
5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile is sourced from PubChem (CID 82204999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).