1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole

C13H24N8 — CID 67260727

IUPAC1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole
SMILESCCCCCn1nnnc1Cc1nnnn1CCCCC
InChIInChI=1S/C13H24N8/c1-3-5-7-9-20-12(14-16-18-20)11-13-15-17-19-21(13)10-8-6-4-2/h3-11H2,1-2H3
InChIKeyJFZOLZHTHAWYMU-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.63
Rot. Bonds10

About 1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole

1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole (PubChem CID 67260727) has the molecular formula C13H24N8 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole.

Molecular Properties

Compound Name1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole
PubChem CID67260727
Molecular FormulaC13H24N8
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole
SMILESCCCCCn1nnnc1Cc1nnnn1CCCCC
InChIInChI=1S/C13H24N8/c1-3-5-7-9-20-12(14-16-18-20)11-13-15-17-19-21(13)10-8-6-4-2/h3-11H2,1-2H3
InChIKeyJFZOLZHTHAWYMU-UHFFFAOYSA-N
XLogP1.63
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole?
The IUPAC name of 1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole (CID 67260727) is 1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole.
What is the SMILES notation for 1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole?
The canonical SMILES for 1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole is CCCCCn1nnnc1Cc1nnnn1CCCCC.
What is the InChIKey of 1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole?
The InChIKey is JFZOLZHTHAWYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N8/c1-3-5-7-9-20-12(14-16-18-20)11-13-15-17-19-21(13)10-8-6-4-2/h3-11H2,1-2H3.
What are the key properties of 1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole?
1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole has a molecular weight of 292.39 g/mol, XLogP of 1.63, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole is sourced from PubChem (CID 67260727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).