1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine

C13H23N5 — CID 11207424

IUPAC1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine
SMILESc1ncn(CC2(N3CCNCC3)CCCCC2)n1
InChIInChI=1S/C13H23N5/c1-2-4-13(5-3-1,10-18-12-15-11-16-18)17-8-6-14-7-9-17/h11-12,14H,1-10H2
InChIKeyKGGVYVGAIQOBDI-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.89
Rot. Bonds3

About 1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine

1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine (PubChem CID 11207424) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine.

Molecular Properties

Compound Name1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine
PubChem CID11207424
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine
SMILESc1ncn(CC2(N3CCNCC3)CCCCC2)n1
InChIInChI=1S/C13H23N5/c1-2-4-13(5-3-1,10-18-12-15-11-16-18)17-8-6-14-7-9-17/h11-12,14H,1-10H2
InChIKeyKGGVYVGAIQOBDI-UHFFFAOYSA-N
XLogP0.89
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine?
The IUPAC name of 1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine (CID 11207424) is 1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine.
What is the SMILES notation for 1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine?
The canonical SMILES for 1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine is c1ncn(CC2(N3CCNCC3)CCCCC2)n1.
What is the InChIKey of 1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine?
The InChIKey is KGGVYVGAIQOBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-4-13(5-3-1,10-18-12-15-11-16-18)17-8-6-14-7-9-17/h11-12,14H,1-10H2.
What are the key properties of 1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine?
1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine has a molecular weight of 249.36 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,4-triazol-1-ylmethyl)cyclohexyl]piperazine is sourced from PubChem (CID 11207424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).