1-(1H-1,2,4-triazol-5-yl)piperazine

C6H11N5 — CID 22122361

IUPAC1-(1H-1,2,4-triazol-5-yl)piperazine
SMILESc1n[nH]c(N2CCNCC2)n1
InChIInChI=1S/C6H11N5/c1-3-11(4-2-7-1)6-8-5-9-10-6/h5,7H,1-4H2,(H,8,9,10)
InChIKeyAAWXOGAYHSEQKR-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.79
Rot. Bonds1

About 1-(1H-1,2,4-triazol-5-yl)piperazine

1-(1H-1,2,4-triazol-5-yl)piperazine (PubChem CID 22122361) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)piperazine.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)piperazine
PubChem CID22122361
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name1-(1H-1,2,4-triazol-5-yl)piperazine
SMILESc1n[nH]c(N2CCNCC2)n1
InChIInChI=1S/C6H11N5/c1-3-11(4-2-7-1)6-8-5-9-10-6/h5,7H,1-4H2,(H,8,9,10)
InChIKeyAAWXOGAYHSEQKR-UHFFFAOYSA-N
XLogP-0.79
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1H-1,2,4-triazol-5-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

5-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-3-amine
CID 13267631
1-(4-methyl-4H-1,2,4-triazol-3-yl)piperazine
CID 20234081
1-[(1H-1,2,4-triazol-3-yl)methyl]piperazine
CID 56763776
3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide
CID 14450379
1-(4-methyl-4H-1,2,4-triazol-3-yl)piperazine dihydrochloride
CID 122163709
1-(3-bromo-1H-1,2,4-triazol-5-yl)piperazine dihydrochloride
CID 145867402
1-(2-(1H-1,2,4-Triazol-1-yl)ethyl)piperazine
CID 45791078
5-(piperazin-1-yl)-4H-1,2,4-triazol-3-amine
CID 14450378
1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine
CID 91691078
1,4-dimethyl-1-[2-(4-methyl-1H-1,2,4-triazole-2,4-diium-2-yl)ethyl]-4-propan-2-ylpiperazine-1,4-diium
CID 20689014
2-[2-[2-(1,4-dimethyl-4-propan-2-ylpiperazine-1,4-diium-1-yl)ethyl]-1H-1,2,4-triazole-2,4-diium-4-yl]ethanamine
CID 20689023
1-(1,2,4-Triazol-1-ylmethyl)piperazine
CID 22219003

Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)piperazine?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)piperazine (CID 22122361) is 1-(1H-1,2,4-triazol-5-yl)piperazine.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)piperazine?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)piperazine is c1n[nH]c(N2CCNCC2)n1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)piperazine?
The InChIKey is AAWXOGAYHSEQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c1-3-11(4-2-7-1)6-8-5-9-10-6/h5,7H,1-4H2,(H,8,9,10).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)piperazine?
1-(1H-1,2,4-triazol-5-yl)piperazine has a molecular weight of 153.19 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)piperazine is sourced from PubChem (CID 22122361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).