5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile

C13H14N6 — CID 62077370

IUPAC5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile
SMILESN#Cc1cc(N)ccc1-n1nnnc1C1CCCC1
InChIInChI=1S/C13H14N6/c14-8-10-7-11(15)5-6-12(10)19-13(16-17-18-19)9-3-1-2-4-9/h5-7,9H,1-4,15H2
InChIKeyUHEMSPMXBOZGGZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.77
Rot. Bonds2

About 5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile

5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile (PubChem CID 62077370) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile
PubChem CID62077370
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile
SMILESN#Cc1cc(N)ccc1-n1nnnc1C1CCCC1
InChIInChI=1S/C13H14N6/c14-8-10-7-11(15)5-6-12(10)19-13(16-17-18-19)9-3-1-2-4-9/h5-7,9H,1-4,15H2
InChIKeyUHEMSPMXBOZGGZ-UHFFFAOYSA-N
XLogP1.77
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 62077006
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CID 62076027
2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline
CID 62075867
5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole
CID 79766240
1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide
CID 54985357
5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid
CID 62075212
5-amino-2-(2,3-dimethylpiperidin-1-yl)benzonitrile
CID 55040516
5-amino-2-(3,5-dimethylpiperidin-1-yl)benzonitrile
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5-amino-2-(4,4-dimethylpiperidin-1-yl)benzonitrile
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5-amino-2-(2-azaspiro[3.4]octan-2-yl)benzonitrile
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5-amino-2-indazol-1-ylbenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile?
The IUPAC name of 5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile (CID 62077370) is 5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile.
What is the SMILES notation for 5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile?
The canonical SMILES for 5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile is N#Cc1cc(N)ccc1-n1nnnc1C1CCCC1.
What is the InChIKey of 5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile?
The InChIKey is UHEMSPMXBOZGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-8-10-7-11(15)5-6-12(10)19-13(16-17-18-19)9-3-1-2-4-9/h5-7,9H,1-4,15H2.
What are the key properties of 5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile?
5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile has a molecular weight of 254.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile is sourced from PubChem (CID 62077370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).