1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole

C12H21N5 — CID 651214

IUPAC1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole
SMILESC1CCC(n2nnnc2CN2CCCC2)CC1
InChIInChI=1S/C12H21N5/c1-2-6-11(7-3-1)17-12(13-14-15-17)10-16-8-4-5-9-16/h11H,1-10H2
InChIKeyUXQCDRUAZJAHIT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.77
Rot. Bonds3

About 1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole

1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole (PubChem CID 651214) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole.

Molecular Properties

Compound Name1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole
PubChem CID651214
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole
SMILESC1CCC(n2nnnc2CN2CCCC2)CC1
InChIInChI=1S/C12H21N5/c1-2-6-11(7-3-1)17-12(13-14-15-17)10-16-8-4-5-9-16/h11H,1-10H2
InChIKeyUXQCDRUAZJAHIT-UHFFFAOYSA-N
XLogP1.77
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole?
The IUPAC name of 1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole (CID 651214) is 1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole.
What is the SMILES notation for 1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole?
The canonical SMILES for 1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole is C1CCC(n2nnnc2CN2CCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole?
The InChIKey is UXQCDRUAZJAHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-2-6-11(7-3-1)17-12(13-14-15-17)10-16-8-4-5-9-16/h11H,1-10H2.
What are the key properties of 1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole?
1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole has a molecular weight of 235.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(pyrrolidin-1-ylmethyl)tetrazole is sourced from PubChem (CID 651214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).