1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine

C13H23N5 — CID 55058169

IUPAC1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine
SMILESC1CCC(c2n[nH]c(CN3CCNCC3)n2)CC1
InChIInChI=1S/C13H23N5/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-18-8-6-14-7-9-18/h11,14H,1-10H2,(H,15,16,17)
InChIKeyUBCYSBGLMXWAKQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.26
Rot. Bonds3

About 1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine

1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine (PubChem CID 55058169) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine
PubChem CID55058169
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine
SMILESC1CCC(c2n[nH]c(CN3CCNCC3)n2)CC1
InChIInChI=1S/C13H23N5/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-18-8-6-14-7-9-18/h11,14H,1-10H2,(H,15,16,17)
InChIKeyUBCYSBGLMXWAKQ-UHFFFAOYSA-N
XLogP1.26
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine?
The IUPAC name of 1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine (CID 55058169) is 1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine is C1CCC(c2n[nH]c(CN3CCNCC3)n2)CC1.
What is the InChIKey of 1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine?
The InChIKey is UBCYSBGLMXWAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-18-8-6-14-7-9-18/h11,14H,1-10H2,(H,15,16,17).
What are the key properties of 1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine?
1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine has a molecular weight of 249.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine is sourced from PubChem (CID 55058169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).