1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine

C14H23N7 — CID 102797380

IUPAC1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
SMILESCCc1cc(-c2nc(N3CC(C)NC(C)C3)n[nH]2)n(C)n1
InChIInChI=1S/C14H23N7/c1-5-11-6-12(20(4)19-11)13-16-14(18-17-13)21-7-9(2)15-10(3)8-21/h6,9-10,15H,5,7-8H2,1-4H3,(H,16,17,18)
InChIKeyGZVJDXGCULUSJT-UHFFFAOYSA-N
MW289.39 g/mol
LogP0.95
Rot. Bonds3

About 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine

1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine (PubChem CID 102797380) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
PubChem CID102797380
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
SMILESCCc1cc(-c2nc(N3CC(C)NC(C)C3)n[nH]2)n(C)n1
InChIInChI=1S/C14H23N7/c1-5-11-6-12(20(4)19-11)13-16-14(18-17-13)21-7-9(2)15-10(3)8-21/h6,9-10,15H,5,7-8H2,1-4H3,(H,16,17,18)
InChIKeyGZVJDXGCULUSJT-UHFFFAOYSA-N
XLogP0.95
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine with MolForge

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Related Compounds

1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794355
(3S)-1-[5-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797953
3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797455
5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole
CID 66120543
4-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-methylphenol
CID 136750843
1-[5-(5-fluoro-3-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797345
1-[5-(5-iodothiophen-3-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797447
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-(4-bromo-2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797260
3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797402

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine (CID 102797380) is 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine is CCc1cc(-c2nc(N3CC(C)NC(C)C3)n[nH]2)n(C)n1.
What is the InChIKey of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
The InChIKey is GZVJDXGCULUSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-5-11-6-12(20(4)19-11)13-16-14(18-17-13)21-7-9(2)15-10(3)8-21/h6,9-10,15H,5,7-8H2,1-4H3,(H,16,17,18).
What are the key properties of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine has a molecular weight of 289.39 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine is sourced from PubChem (CID 102797380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).