5-pentyltetrazole-2-carbonitrile

C7H11N5 — CID 69030724

IUPAC5-pentyltetrazole-2-carbonitrile
SMILESCCCCCc1nnn(C#N)n1
InChIInChI=1S/C7H11N5/c1-2-3-4-5-7-9-11-12(6-8)10-7/h2-5H2,1H3
InChIKeyUOMYKFRZIQYHMW-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.73
Rot. Bonds4

About 5-pentyltetrazole-2-carbonitrile

5-pentyltetrazole-2-carbonitrile (PubChem CID 69030724) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-pentyltetrazole-2-carbonitrile.

Molecular Properties

Compound Name5-pentyltetrazole-2-carbonitrile
PubChem CID69030724
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name5-pentyltetrazole-2-carbonitrile
SMILESCCCCCc1nnn(C#N)n1
InChIInChI=1S/C7H11N5/c1-2-3-4-5-7-9-11-12(6-8)10-7/h2-5H2,1H3
InChIKeyUOMYKFRZIQYHMW-UHFFFAOYSA-N
XLogP0.73
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.73
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

2-fluoro-5-pentyltetrazole
CID 69031362
2-(2,2-dimethylpropyl)-5-hexyltetrazole
CID 69030471
5-butyl-2-methyltetrazole;ethane
CID 144800630
5-hexyl-2-(trifluoromethyl)tetrazole
CID 69032079
tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane
CID 177385482
2-butyl-5-propyltetrazole
CID 69034353
2-(5-dodecyltetrazol-2-yl)-2-methylpropanoate
CID 21469547
3-(5-decyltetrazol-2-yl)propyl-triethoxysilane
CID 142547971
2-(5-dodecyltetrazol-2-yl)heptanoic acid
CID 21469507
2-nonan-2-yl-5-propyltetrazole
CID 177419840
tributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane
CID 177399056
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211

Frequently Asked Questions

What is the IUPAC name of 5-pentyltetrazole-2-carbonitrile?
The IUPAC name of 5-pentyltetrazole-2-carbonitrile (CID 69030724) is 5-pentyltetrazole-2-carbonitrile.
What is the SMILES notation for 5-pentyltetrazole-2-carbonitrile?
The canonical SMILES for 5-pentyltetrazole-2-carbonitrile is CCCCCc1nnn(C#N)n1.
What is the InChIKey of 5-pentyltetrazole-2-carbonitrile?
The InChIKey is UOMYKFRZIQYHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-2-3-4-5-7-9-11-12(6-8)10-7/h2-5H2,1H3.
What are the key properties of 5-pentyltetrazole-2-carbonitrile?
5-pentyltetrazole-2-carbonitrile has a molecular weight of 165.20 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyltetrazole-2-carbonitrile is sourced from PubChem (CID 69030724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).