5-pentyl-2H-tetrazole

C12H24N8 — CID 139080284

IUPAC5-pentyl-2H-tetrazole
SMILESCCCCCc1nn[nH]n1.CCCCCc1nn[nH]n1
InChIInChI=1S/2C6H12N4/c2*1-2-3-4-5-6-7-9-10-8-6/h2*2-5H2,1H3,(H,7,8,9,10)
InChIKeyIPMHQKSWTVNCTB-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.86
Rot. Bonds8

About 5-pentyl-2H-tetrazole

5-pentyl-2H-tetrazole (PubChem CID 139080284) has the molecular formula C12H24N8 and a molecular weight of 280.38 g/mol. Its IUPAC name is 5-pentyl-2H-tetrazole.

Molecular Properties

Compound Name5-pentyl-2H-tetrazole
PubChem CID139080284
Molecular FormulaC12H24N8
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name5-pentyl-2H-tetrazole
SMILESCCCCCc1nn[nH]n1.CCCCCc1nn[nH]n1
InChIInChI=1S/2C6H12N4/c2*1-2-3-4-5-6-7-9-10-8-6/h2*2-5H2,1H3,(H,7,8,9,10)
InChIKeyIPMHQKSWTVNCTB-UHFFFAOYSA-N
XLogP1.86
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(6-hexoxyhexyl)-2H-tetrazole
CID 68731797
5-[(Z)-heptadec-8-enyl]-2H-tetrazole
CID 11088104
5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754
5-(4-butoxybutyl)-2H-tetrazole
CID 90689565
5-(5-ethylundecyl)-2H-tetrazole
CID 129015561
5-(5-methylhexyl)-2H-tetrazole
CID 21044006
5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole
CID 113427164
5-(3-ethyl-3-methylnonyl)-2H-tetrazole
CID 146182533
5-(3-fluoropropyl)-2H-tetrazole
CID 81109495
N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide
CID 118528577
N-heptyl-3-(2H-tetrazol-5-yl)propanamide
CID 67740632
N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline
CID 23349339

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2H-tetrazole?
The IUPAC name of 5-pentyl-2H-tetrazole (CID 139080284) is 5-pentyl-2H-tetrazole.
What is the SMILES notation for 5-pentyl-2H-tetrazole?
The canonical SMILES for 5-pentyl-2H-tetrazole is CCCCCc1nn[nH]n1.CCCCCc1nn[nH]n1.
What is the InChIKey of 5-pentyl-2H-tetrazole?
The InChIKey is IPMHQKSWTVNCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12N4/c2*1-2-3-4-5-6-7-9-10-8-6/h2*2-5H2,1H3,(H,7,8,9,10).
What are the key properties of 5-pentyl-2H-tetrazole?
5-pentyl-2H-tetrazole has a molecular weight of 280.38 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2H-tetrazole is sourced from PubChem (CID 139080284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).