1-cyclohexyl-5-pentyltetrazole

C12H22N4 — CID 20728709

IUPAC1-cyclohexyl-5-pentyltetrazole
SMILESCCCCCc1nnnn1C1CCCCC1
InChIInChI=1S/C12H22N4/c1-2-3-5-10-12-13-14-15-16(12)11-8-6-4-7-9-11/h11H,2-10H2,1H3
InChIKeyPYTKNNSNHCRRFS-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.91
Rot. Bonds5

About 1-cyclohexyl-5-pentyltetrazole

1-cyclohexyl-5-pentyltetrazole (PubChem CID 20728709) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-cyclohexyl-5-pentyltetrazole.

Molecular Properties

Compound Name1-cyclohexyl-5-pentyltetrazole
PubChem CID20728709
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-cyclohexyl-5-pentyltetrazole
SMILESCCCCCc1nnnn1C1CCCCC1
InChIInChI=1S/C12H22N4/c1-2-3-5-10-12-13-14-15-16(12)11-8-6-4-7-9-11/h11H,2-10H2,1H3
InChIKeyPYTKNNSNHCRRFS-UHFFFAOYSA-N
XLogP2.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-pentyltetrazole?
The IUPAC name of 1-cyclohexyl-5-pentyltetrazole (CID 20728709) is 1-cyclohexyl-5-pentyltetrazole.
What is the SMILES notation for 1-cyclohexyl-5-pentyltetrazole?
The canonical SMILES for 1-cyclohexyl-5-pentyltetrazole is CCCCCc1nnnn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-pentyltetrazole?
The InChIKey is PYTKNNSNHCRRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-3-5-10-12-13-14-15-16(12)11-8-6-4-7-9-11/h11H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-5-pentyltetrazole?
1-cyclohexyl-5-pentyltetrazole has a molecular weight of 222.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-pentyltetrazole is sourced from PubChem (CID 20728709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).