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

C14H25N5 — CID 59088699

IUPAC1-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine
SMILESc1ncn(CCC2(N3CCNCC3)CCCCC2)n1
InChIInChI=1S/C14H25N5/c1-2-4-14(5-3-1,18-10-7-15-8-11-18)6-9-19-13-16-12-17-19/h12-13,15H,1-11H2
InChIKeyHDSKDGFHJAVFNI-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.28
Rot. Bonds4

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

1-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine (PubChem CID 59088699) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine.

Molecular Properties

Compound Name1-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine
PubChem CID59088699
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine
SMILESc1ncn(CCC2(N3CCNCC3)CCCCC2)n1
InChIInChI=1S/C14H25N5/c1-2-4-14(5-3-1,18-10-7-15-8-11-18)6-9-19-13-16-12-17-19/h12-13,15H,1-11H2
InChIKeyHDSKDGFHJAVFNI-UHFFFAOYSA-N
XLogP1.28
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine?
The IUPAC name of 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine (CID 59088699) is 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine.
What is the SMILES notation for 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine?
The canonical SMILES for 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine is c1ncn(CCC2(N3CCNCC3)CCCCC2)n1.
What is the InChIKey of 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine?
The InChIKey is HDSKDGFHJAVFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-2-4-14(5-3-1,18-10-7-15-8-11-18)6-9-19-13-16-12-17-19/h12-13,15H,1-11H2.
What are the key properties of 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine?
1-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine has a molecular weight of 263.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine is sourced from PubChem (CID 59088699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).