5-methyl-1-octyltetrazole

C10H20N4 — CID 20685309

IUPAC5-methyl-1-octyltetrazole
SMILESCCCCCCCCn1nnnc1C
InChIInChI=1S/C10H20N4/c1-3-4-5-6-7-8-9-14-10(2)11-12-13-14/h3-9H2,1-2H3
InChIKeyYMRUSHIBKOYJOW-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.34
Rot. Bonds7

About 5-methyl-1-octyltetrazole

5-methyl-1-octyltetrazole (PubChem CID 20685309) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 5-methyl-1-octyltetrazole.

Molecular Properties

Compound Name5-methyl-1-octyltetrazole
PubChem CID20685309
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name5-methyl-1-octyltetrazole
SMILESCCCCCCCCn1nnnc1C
InChIInChI=1S/C10H20N4/c1-3-4-5-6-7-8-9-14-10(2)11-12-13-14/h3-9H2,1-2H3
InChIKeyYMRUSHIBKOYJOW-UHFFFAOYSA-N
XLogP2.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.34
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 5-methyl-1-octyltetrazole?
The IUPAC name of 5-methyl-1-octyltetrazole (CID 20685309) is 5-methyl-1-octyltetrazole.
What is the SMILES notation for 5-methyl-1-octyltetrazole?
The canonical SMILES for 5-methyl-1-octyltetrazole is CCCCCCCCn1nnnc1C.
What is the InChIKey of 5-methyl-1-octyltetrazole?
The InChIKey is YMRUSHIBKOYJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-4-5-6-7-8-9-14-10(2)11-12-13-14/h3-9H2,1-2H3.
What are the key properties of 5-methyl-1-octyltetrazole?
5-methyl-1-octyltetrazole has a molecular weight of 196.30 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-octyltetrazole is sourced from PubChem (CID 20685309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).