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

C12H19N7 — CID 102792948

IUPAC1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCc1nn(C)c(C)c1-c1nc(N2CCNCC2)n[nH]1
InChIInChI=1S/C12H19N7/c1-8-10(9(2)18(3)17-8)11-14-12(16-15-11)19-6-4-13-5-7-19/h13H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyMNYMULTUUWNDMA-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.23
Rot. Bonds2

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

1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102792948) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102792948
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCc1nn(C)c(C)c1-c1nc(N2CCNCC2)n[nH]1
InChIInChI=1S/C12H19N7/c1-8-10(9(2)18(3)17-8)11-14-12(16-15-11)19-6-4-13-5-7-19/h13H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyMNYMULTUUWNDMA-UHFFFAOYSA-N
XLogP0.23
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797455
1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102792961
1-[5-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 102796987
1-[5-(1-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 107971927
1-[5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 102797197
1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 106683927
1-[5-(3,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 102796950
4-tert-butyl-5-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)thiadiazole
CID 136758223
5-[3-(1,4-diazepan-1-yl)-1H-1,2,4-triazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136812257
3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 63343278
(3S)-1-[5-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797953
1-(5-pyridazin-4-yl-1H-1,2,4-triazol-3-yl)-1,4-diazepane
CID 102797043

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102792948) is 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine is Cc1nn(C)c(C)c1-c1nc(N2CCNCC2)n[nH]1.
What is the InChIKey of 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is MNYMULTUUWNDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-8-10(9(2)18(3)17-8)11-14-12(16-15-11)19-6-4-13-5-7-19/h13H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine?
1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 261.33 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102792948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).