1-hexyltetrazole

C7H14N4 — CID 54142823

IUPAC1-hexyltetrazole
SMILESCCCCCCn1cnnn1
InChIInChI=1S/C7H14N4/c1-2-3-4-5-6-11-7-8-9-10-11/h7H,2-6H2,1H3
InChIKeyQGPCVBGTPDZKDZ-UHFFFAOYSA-N
MW154.22 g/mol
LogP1.25
Rot. Bonds5

About 1-hexyltetrazole

1-hexyltetrazole (PubChem CID 54142823) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-hexyltetrazole.

Molecular Properties

Compound Name1-hexyltetrazole
PubChem CID54142823
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-hexyltetrazole
SMILESCCCCCCn1cnnn1
InChIInChI=1S/C7H14N4/c1-2-3-4-5-6-11-7-8-9-10-11/h7H,2-6H2,1H3
InChIKeyQGPCVBGTPDZKDZ-UHFFFAOYSA-N
XLogP1.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-1H-1,2,4-triazole
CID 14267422
1-butyl-1H-tetrazole
CID 12144386
1-Hexyl-1,2,4-triazole
CID 12591947
1-Propyl-1H-tetrazole
CID 13760805
1-pentyl-1H-tetrazole
CID 13760806
1-Cyclohexyltetrazole
CID 11263601
1-Isopropyl-1H-tetrazole
CID 12144388
1-Isobutyl-1H-tetrazole
CID 22320095
1H-Tetrazole-1-butanamine
CID 55284078
1,5-Bis(tetrazol-1-yl)pentane
CID 102182711
1-Hexyltetrazol-5-amine
CID 223449
5-Fluoro-1-pentyltetrazole
CID 69030975

Frequently Asked Questions

What is the IUPAC name of 1-hexyltetrazole?
The IUPAC name of 1-hexyltetrazole (CID 54142823) is 1-hexyltetrazole.
What is the SMILES notation for 1-hexyltetrazole?
The canonical SMILES for 1-hexyltetrazole is CCCCCCn1cnnn1.
What is the InChIKey of 1-hexyltetrazole?
The InChIKey is QGPCVBGTPDZKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-2-3-4-5-6-11-7-8-9-10-11/h7H,2-6H2,1H3.
What are the key properties of 1-hexyltetrazole?
1-hexyltetrazole has a molecular weight of 154.22 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyltetrazole is sourced from PubChem (CID 54142823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).