1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine

C12H23N5 — CID 62722324

IUPAC1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
SMILESCC(C)c1nc(C(C)N2CCNCC2)n(C)n1
InChIInChI=1S/C12H23N5/c1-9(2)11-14-12(16(4)15-11)10(3)17-7-5-13-6-8-17/h9-10,13H,5-8H2,1-4H3
InChIKeyBBIZGDHMPWVFNX-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.90
Rot. Bonds3

About 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine

1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine (PubChem CID 62722324) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
PubChem CID62722324
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
SMILESCC(C)c1nc(C(C)N2CCNCC2)n(C)n1
InChIInChI=1S/C12H23N5/c1-9(2)11-14-12(16(4)15-11)10(3)17-7-5-13-6-8-17/h9-10,13H,5-8H2,1-4H3
InChIKeyBBIZGDHMPWVFNX-UHFFFAOYSA-N
XLogP0.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]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

1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
CID 62735249
7-methyl-2-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989776
1-methyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 54914315
1-[1-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 83830839
3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 63343278
6-methyl-3-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 62310858
2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole
CID 62316014
2-(1-piperazin-1-ylethyl)-1,3-oxazole
CID 22361246
2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile
CID 82311223
3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one
CID 83890794
5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343323
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine?
The IUPAC name of 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine (CID 62722324) is 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine?
The canonical SMILES for 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine is CC(C)c1nc(C(C)N2CCNCC2)n(C)n1.
What is the InChIKey of 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine?
The InChIKey is BBIZGDHMPWVFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-9(2)11-14-12(16(4)15-11)10(3)17-7-5-13-6-8-17/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine?
1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine has a molecular weight of 237.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine is sourced from PubChem (CID 62722324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).