1-(1-cyclohexyltetrazol-5-yl)piperazine

C11H20N6 — CID 22028438

IUPAC1-(1-cyclohexyltetrazol-5-yl)piperazine
SMILESC1CCC(n2nnnc2N2CCNCC2)CC1
InChIInChI=1S/C11H20N6/c1-2-4-10(5-3-1)17-11(13-14-15-17)16-8-6-12-7-9-16/h10,12H,1-9H2
InChIKeyKMCARXHGEASNSR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.59
Rot. Bonds2

About 1-(1-cyclohexyltetrazol-5-yl)piperazine

1-(1-cyclohexyltetrazol-5-yl)piperazine (PubChem CID 22028438) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(1-cyclohexyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-(1-cyclohexyltetrazol-5-yl)piperazine
PubChem CID22028438
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name1-(1-cyclohexyltetrazol-5-yl)piperazine
SMILESC1CCC(n2nnnc2N2CCNCC2)CC1
InChIInChI=1S/C11H20N6/c1-2-4-10(5-3-1)17-11(13-14-15-17)16-8-6-12-7-9-16/h10,12H,1-9H2
InChIKeyKMCARXHGEASNSR-UHFFFAOYSA-N
XLogP0.59
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyltetrazol-5-yl)piperazine?
The IUPAC name of 1-(1-cyclohexyltetrazol-5-yl)piperazine (CID 22028438) is 1-(1-cyclohexyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-(1-cyclohexyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-(1-cyclohexyltetrazol-5-yl)piperazine is C1CCC(n2nnnc2N2CCNCC2)CC1.
What is the InChIKey of 1-(1-cyclohexyltetrazol-5-yl)piperazine?
The InChIKey is KMCARXHGEASNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-2-4-10(5-3-1)17-11(13-14-15-17)16-8-6-12-7-9-16/h10,12H,1-9H2.
What are the key properties of 1-(1-cyclohexyltetrazol-5-yl)piperazine?
1-(1-cyclohexyltetrazol-5-yl)piperazine has a molecular weight of 236.32 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyltetrazol-5-yl)piperazine is sourced from PubChem (CID 22028438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).