5-(cyclopentylmethyl)-1-methyltetrazole

C8H14N4 — CID 67592624

IUPAC5-(cyclopentylmethyl)-1-methyltetrazole
SMILESCn1nnnc1CC1CCCC1
InChIInChI=1S/C8H14N4/c1-12-8(9-10-11-12)6-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyHNKDEOAQUFMYMI-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.94
Rot. Bonds2

About 5-(cyclopentylmethyl)-1-methyltetrazole

5-(cyclopentylmethyl)-1-methyltetrazole (PubChem CID 67592624) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-1-methyltetrazole
PubChem CID67592624
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name5-(cyclopentylmethyl)-1-methyltetrazole
SMILESCn1nnnc1CC1CCCC1
InChIInChI=1S/C8H14N4/c1-12-8(9-10-11-12)6-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyHNKDEOAQUFMYMI-UHFFFAOYSA-N
XLogP0.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-1-methyltetrazole?
The IUPAC name of 5-(cyclopentylmethyl)-1-methyltetrazole (CID 67592624) is 5-(cyclopentylmethyl)-1-methyltetrazole.
What is the SMILES notation for 5-(cyclopentylmethyl)-1-methyltetrazole?
The canonical SMILES for 5-(cyclopentylmethyl)-1-methyltetrazole is Cn1nnnc1CC1CCCC1.
What is the InChIKey of 5-(cyclopentylmethyl)-1-methyltetrazole?
The InChIKey is HNKDEOAQUFMYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-12-8(9-10-11-12)6-7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of 5-(cyclopentylmethyl)-1-methyltetrazole?
5-(cyclopentylmethyl)-1-methyltetrazole has a molecular weight of 166.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-1-methyltetrazole is sourced from PubChem (CID 67592624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).