5-[(5-methylcyclooctyl)methyl]-2H-tetrazole

C11H20N4 — CID 123986451

IUPAC5-[(5-methylcyclooctyl)methyl]-2H-tetrazole
SMILESCC1CCCC(Cc2nn[nH]n2)CCC1
InChIInChI=1S/C11H20N4/c1-9-4-2-6-10(7-3-5-9)8-11-12-14-15-13-11/h9-10H,2-8H2,1H3,(H,12,13,14,15)
InChIKeyNFLJAZZRVNNLMO-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.35
Rot. Bonds2

About 5-[(5-methylcyclooctyl)methyl]-2H-tetrazole

5-[(5-methylcyclooctyl)methyl]-2H-tetrazole (PubChem CID 123986451) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-[(5-methylcyclooctyl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(5-methylcyclooctyl)methyl]-2H-tetrazole
PubChem CID123986451
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-[(5-methylcyclooctyl)methyl]-2H-tetrazole
SMILESCC1CCCC(Cc2nn[nH]n2)CCC1
InChIInChI=1S/C11H20N4/c1-9-4-2-6-10(7-3-5-9)8-11-12-14-15-13-11/h9-10H,2-8H2,1H3,(H,12,13,14,15)
InChIKeyNFLJAZZRVNNLMO-UHFFFAOYSA-N
XLogP2.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylcyclooctyl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(5-methylcyclooctyl)methyl]-2H-tetrazole (CID 123986451) is 5-[(5-methylcyclooctyl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(5-methylcyclooctyl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(5-methylcyclooctyl)methyl]-2H-tetrazole is CC1CCCC(Cc2nn[nH]n2)CCC1.
What is the InChIKey of 5-[(5-methylcyclooctyl)methyl]-2H-tetrazole?
The InChIKey is NFLJAZZRVNNLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9-4-2-6-10(7-3-5-9)8-11-12-14-15-13-11/h9-10H,2-8H2,1H3,(H,12,13,14,15).
What are the key properties of 5-[(5-methylcyclooctyl)methyl]-2H-tetrazole?
5-[(5-methylcyclooctyl)methyl]-2H-tetrazole has a molecular weight of 208.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylcyclooctyl)methyl]-2H-tetrazole is sourced from PubChem (CID 123986451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).