2-tert-butyl-5-cyclopentyltetrazole

C10H18N4 — CID 58431044

IUPAC2-tert-butyl-5-cyclopentyltetrazole
SMILESCC(C)(C)n1nnc(C2CCCC2)n1
InChIInChI=1S/C10H18N4/c1-10(2,3)14-12-9(11-13-14)8-6-4-5-7-8/h8H,4-7H2,1-3H3
InChIKeyOFSBTOYVRFHNFP-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.09
Rot. Bonds1

About 2-tert-butyl-5-cyclopentyltetrazole

2-tert-butyl-5-cyclopentyltetrazole (PubChem CID 58431044) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclopentyltetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-cyclopentyltetrazole
PubChem CID58431044
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-tert-butyl-5-cyclopentyltetrazole
SMILESCC(C)(C)n1nnc(C2CCCC2)n1
InChIInChI=1S/C10H18N4/c1-10(2,3)14-12-9(11-13-14)8-6-4-5-7-8/h8H,4-7H2,1-3H3
InChIKeyOFSBTOYVRFHNFP-UHFFFAOYSA-N
XLogP2.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Heptan-4-yl-2-methyltetrazole
CID 13374828
5-(Cyclopentylmethyl)-2-methyltetrazole
CID 18922473
5-Cyclopentyl-2-methyltetrazole
CID 58431066
2-Tert-butyl-5-pentyltetrazole
CID 69030802
2-Tert-butyl-5-hexyltetrazole
CID 69031401
5-Butyl-2-tert-butyltetrazole
CID 69032154
2-Tert-butyl-5-(2-methylpropyl)tetrazole
CID 69033039
2-Methyl-5-(4-methylpentyl)tetrazole
CID 117915925
2-Methyl-5-(2-propylpentyl)tetrazole
CID 143471667
5-(3-Ethylhexyl)-2-methyltetrazole
CID 143473878
2-Methyl-5-(2-methylpentyl)tetrazole
CID 156110564
2-Tert-butyl-5-hexan-3-yltetrazole
CID 170234498

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-cyclopentyltetrazole?
The IUPAC name of 2-tert-butyl-5-cyclopentyltetrazole (CID 58431044) is 2-tert-butyl-5-cyclopentyltetrazole.
What is the SMILES notation for 2-tert-butyl-5-cyclopentyltetrazole?
The canonical SMILES for 2-tert-butyl-5-cyclopentyltetrazole is CC(C)(C)n1nnc(C2CCCC2)n1.
What is the InChIKey of 2-tert-butyl-5-cyclopentyltetrazole?
The InChIKey is OFSBTOYVRFHNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(2,3)14-12-9(11-13-14)8-6-4-5-7-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5-cyclopentyltetrazole?
2-tert-butyl-5-cyclopentyltetrazole has a molecular weight of 194.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-cyclopentyltetrazole is sourced from PubChem (CID 58431044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).