3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine

C14H23N7 — CID 102797455

IUPAC3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCc1nn(C)c(C)c1-c1nc(N2CC(C)NC(C)C2)n[nH]1
InChIInChI=1S/C14H23N7/c1-8-6-21(7-9(2)15-8)14-16-13(17-18-14)12-10(3)19-20(5)11(12)4/h8-9,15H,6-7H2,1-5H3,(H,16,17,18)
InChIKeyYJCAZFVBCSPMPX-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.01
Rot. Bonds2

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

3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102797455) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102797455
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCc1nn(C)c(C)c1-c1nc(N2CC(C)NC(C)C2)n[nH]1
InChIInChI=1S/C14H23N7/c1-8-6-21(7-9(2)15-8)14-16-13(17-18-14)12-10(3)19-20(5)11(12)4/h8-9,15H,6-7H2,1-5H3,(H,16,17,18)
InChIKeyYJCAZFVBCSPMPX-UHFFFAOYSA-N
XLogP1.01
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102792948
5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole
CID 136836456
2-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-fluorophenol
CID 136678095
1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797380
3,5-dimethyl-1-[5-(3-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797254
3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797402
4-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-methylphenol
CID 136750843
3,5-dimethyl-1-[5-(thian-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797418
1-[5-(3-chloro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797405
1-[5-(5-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797309
1-[5-(2-bromo-5-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797316
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine
CID 102797265

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102797455) is 3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine is Cc1nn(C)c(C)c1-c1nc(N2CC(C)NC(C)C2)n[nH]1.
What is the InChIKey of 3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is YJCAZFVBCSPMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-8-6-21(7-9(2)15-8)14-16-13(17-18-14)12-10(3)19-20(5)11(12)4/h8-9,15H,6-7H2,1-5H3,(H,16,17,18).
What are the key properties of 3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine?
3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 289.39 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102797455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).