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

C14H25N5 — CID 59088741

IUPAC1-methyl-4-[1-(1,2,4-triazol-4-ylmethyl)cyclohexyl]piperazine
SMILESCN1CCN(C2(Cn3cnnc3)CCCCC2)CC1
InChIInChI=1S/C14H25N5/c1-17-7-9-19(10-8-17)14(5-3-2-4-6-14)11-18-12-15-16-13-18/h12-13H,2-11H2,1H3
InChIKeyVTGRPDHCOCNEBW-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.23
Rot. Bonds3

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

1-methyl-4-[1-(1,2,4-triazol-4-ylmethyl)cyclohexyl]piperazine (PubChem CID 59088741) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-methyl-4-[1-(1,2,4-triazol-4-ylmethyl)cyclohexyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-(1,2,4-triazol-4-ylmethyl)cyclohexyl]piperazine
PubChem CID59088741
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-methyl-4-[1-(1,2,4-triazol-4-ylmethyl)cyclohexyl]piperazine
SMILESCN1CCN(C2(Cn3cnnc3)CCCCC2)CC1
InChIInChI=1S/C14H25N5/c1-17-7-9-19(10-8-17)14(5-3-2-4-6-14)11-18-12-15-16-13-18/h12-13H,2-11H2,1H3
InChIKeyVTGRPDHCOCNEBW-UHFFFAOYSA-N
XLogP1.23
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.23
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-(1,2,4-triazol-4-ylmethyl)cyclohexyl]piperazine?
The IUPAC name of 1-methyl-4-[1-(1,2,4-triazol-4-ylmethyl)cyclohexyl]piperazine (CID 59088741) is 1-methyl-4-[1-(1,2,4-triazol-4-ylmethyl)cyclohexyl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-(1,2,4-triazol-4-ylmethyl)cyclohexyl]piperazine?
The canonical SMILES for 1-methyl-4-[1-(1,2,4-triazol-4-ylmethyl)cyclohexyl]piperazine is CN1CCN(C2(Cn3cnnc3)CCCCC2)CC1.
What is the InChIKey of 1-methyl-4-[1-(1,2,4-triazol-4-ylmethyl)cyclohexyl]piperazine?
The InChIKey is VTGRPDHCOCNEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-17-7-9-19(10-8-17)14(5-3-2-4-6-14)11-18-12-15-16-13-18/h12-13H,2-11H2,1H3.
What are the key properties of 1-methyl-4-[1-(1,2,4-triazol-4-ylmethyl)cyclohexyl]piperazine?
1-methyl-4-[1-(1,2,4-triazol-4-ylmethyl)cyclohexyl]piperazine has a molecular weight of 263.39 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(1,2,4-triazol-4-ylmethyl)cyclohexyl]piperazine is sourced from PubChem (CID 59088741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).