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

C15H27N5 — CID 59088704

IUPAC1-methyl-4-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine
SMILESCN1CCN(C2(CCn3cncn3)CCCCC2)CC1
InChIInChI=1S/C15H27N5/c1-18-9-11-19(12-10-18)15(5-3-2-4-6-15)7-8-20-14-16-13-17-20/h13-14H,2-12H2,1H3
InChIKeyPFNSMVKGHFQLGK-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.62
Rot. Bonds4

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

1-methyl-4-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine (PubChem CID 59088704) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-methyl-4-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine
PubChem CID59088704
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-methyl-4-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine
SMILESCN1CCN(C2(CCn3cncn3)CCCCC2)CC1
InChIInChI=1S/C15H27N5/c1-18-9-11-19(12-10-18)15(5-3-2-4-6-15)7-8-20-14-16-13-17-20/h13-14H,2-12H2,1H3
InChIKeyPFNSMVKGHFQLGK-UHFFFAOYSA-N
XLogP1.62
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine?
The IUPAC name of 1-methyl-4-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine (CID 59088704) is 1-methyl-4-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine?
The canonical SMILES for 1-methyl-4-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine is CN1CCN(C2(CCn3cncn3)CCCCC2)CC1.
What is the InChIKey of 1-methyl-4-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine?
The InChIKey is PFNSMVKGHFQLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-18-9-11-19(12-10-18)15(5-3-2-4-6-15)7-8-20-14-16-13-17-20/h13-14H,2-12H2,1H3.
What are the key properties of 1-methyl-4-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine?
1-methyl-4-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine has a molecular weight of 277.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexyl]piperazine is sourced from PubChem (CID 59088704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).