1-(5-ethylnonyl)-5-methyltetrazole

C13H26N4 — CID 129015593

IUPAC1-(5-ethylnonyl)-5-methyltetrazole
SMILESCCCCC(CC)CCCCn1nnnc1C
InChIInChI=1S/C13H26N4/c1-4-6-9-13(5-2)10-7-8-11-17-12(3)14-15-16-17/h13H,4-11H2,1-3H3
InChIKeyBMFOMOIRSJGCDG-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.37
Rot. Bonds9

About 1-(5-ethylnonyl)-5-methyltetrazole

1-(5-ethylnonyl)-5-methyltetrazole (PubChem CID 129015593) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-(5-ethylnonyl)-5-methyltetrazole.

Molecular Properties

Compound Name1-(5-ethylnonyl)-5-methyltetrazole
PubChem CID129015593
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-(5-ethylnonyl)-5-methyltetrazole
SMILESCCCCC(CC)CCCCn1nnnc1C
InChIInChI=1S/C13H26N4/c1-4-6-9-13(5-2)10-7-8-11-17-12(3)14-15-16-17/h13H,4-11H2,1-3H3
InChIKeyBMFOMOIRSJGCDG-UHFFFAOYSA-N
XLogP3.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.37
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-(5-ethylnonyl)-5-methyltetrazole?
The IUPAC name of 1-(5-ethylnonyl)-5-methyltetrazole (CID 129015593) is 1-(5-ethylnonyl)-5-methyltetrazole.
What is the SMILES notation for 1-(5-ethylnonyl)-5-methyltetrazole?
The canonical SMILES for 1-(5-ethylnonyl)-5-methyltetrazole is CCCCC(CC)CCCCn1nnnc1C.
What is the InChIKey of 1-(5-ethylnonyl)-5-methyltetrazole?
The InChIKey is BMFOMOIRSJGCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-6-9-13(5-2)10-7-8-11-17-12(3)14-15-16-17/h13H,4-11H2,1-3H3.
What are the key properties of 1-(5-ethylnonyl)-5-methyltetrazole?
1-(5-ethylnonyl)-5-methyltetrazole has a molecular weight of 238.38 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylnonyl)-5-methyltetrazole is sourced from PubChem (CID 129015593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).