5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile

C18H17N5 — CID 10638164

IUPAC5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile
SMILESN#CCCCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C18H17N5/c19-13-5-2-6-14-23-21-18(20-22-23)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,14H2
InChIKeyGVLALNSXEOYSKX-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.70
Rot. Bonds6

About 5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile

5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile (PubChem CID 10638164) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile.

Molecular Properties

Compound Name5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile
PubChem CID10638164
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile
SMILESN#CCCCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C18H17N5/c19-13-5-2-6-14-23-21-18(20-22-23)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,14H2
InChIKeyGVLALNSXEOYSKX-UHFFFAOYSA-N
XLogP3.70
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cgp 45688
CID 131798
2-Benzyl-5-phenyl-2h-tetrazole
CID 285167
5-phenyl-2-(2-phenylpropan-2-yl)-2H-tetrazole
CID 1289594
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
2-(2-Methylpropyl)-5-[(4-phenylphenyl)methyl]tetrazole
CID 44448617
3-[(5-phenyl-2H-tetrazol-2-yl)methyl]benzonitrile
CID 886657
2-(5-Biphenyl-4-yl-tetrazol-2-yl)-ethanol
CID 10659394
3-(5-Biphenyl-4-yl-tetrazol-2-yl)-propionitrile
CID 10802348
5-(4-fluorophenyl)-2-(2-methylbenzyl)-2H-tetrazole
CID 738168
3-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-propionitrile
CID 591006
2H-Tetrazole, 5-[1,1'-biphenyl]-4-yl-
CID 112946
3-[5-(4-Propan-2-ylphenyl)tetrazol-2-yl]propanenitrile
CID 3184587

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile?
The IUPAC name of 5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile (CID 10638164) is 5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile.
What is the SMILES notation for 5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile?
The canonical SMILES for 5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile is N#CCCCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile?
The InChIKey is GVLALNSXEOYSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c19-13-5-2-6-14-23-21-18(20-22-23)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,14H2.
What are the key properties of 5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile?
5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile has a molecular weight of 303.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-phenylphenyl)tetrazol-2-yl]pentanenitrile is sourced from PubChem (CID 10638164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).