1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine

C13H24N6 — CID 59088702

IUPAC1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine
SMILESCn1nnnc1CC1CCCCC1N1CCNCC1
InChIInChI=1S/C13H24N6/c1-18-13(15-16-17-18)10-11-4-2-3-5-12(11)19-8-6-14-7-9-19/h11-12,14H,2-10H2,1H3
InChIKeyYQADISILBGPIKL-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.22
Rot. Bonds3

About 1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine

1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine (PubChem CID 59088702) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine.

Molecular Properties

Compound Name1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine
PubChem CID59088702
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine
SMILESCn1nnnc1CC1CCCCC1N1CCNCC1
InChIInChI=1S/C13H24N6/c1-18-13(15-16-17-18)10-11-4-2-3-5-12(11)19-8-6-14-7-9-19/h11-12,14H,2-10H2,1H3
InChIKeyYQADISILBGPIKL-UHFFFAOYSA-N
XLogP0.22
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine?
The IUPAC name of 1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine (CID 59088702) is 1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine.
What is the SMILES notation for 1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine?
The canonical SMILES for 1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine is Cn1nnnc1CC1CCCCC1N1CCNCC1.
What is the InChIKey of 1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine?
The InChIKey is YQADISILBGPIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-18-13(15-16-17-18)10-11-4-2-3-5-12(11)19-8-6-14-7-9-19/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine?
1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine has a molecular weight of 264.38 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methyltetrazol-5-yl)methyl]cyclohexyl]piperazine is sourced from PubChem (CID 59088702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).