1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine

C12H19N7 — CID 50967146

IUPAC1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
SMILESc1c[nH]c(CN2CCN(CCn3cncn3)CC2)n1
InChIInChI=1S/C12H19N7/c1-2-15-12(14-1)9-18-5-3-17(4-6-18)7-8-19-11-13-10-16-19/h1-2,10-11H,3-9H2,(H,14,15)
InChIKeyDXPUVPFDUMQCRC-UHFFFAOYSA-N
MW261.33 g/mol
LogP-0.18
Rot. Bonds5

About 1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine

1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine (PubChem CID 50967146) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
PubChem CID50967146
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
SMILESc1c[nH]c(CN2CCN(CCn3cncn3)CC2)n1
InChIInChI=1S/C12H19N7/c1-2-15-12(14-1)9-18-5-3-17(4-6-18)7-8-19-11-13-10-16-19/h1-2,10-11H,3-9H2,(H,14,15)
InChIKeyDXPUVPFDUMQCRC-UHFFFAOYSA-N
XLogP-0.18
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-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

2,2'-Biimidazole
CID 101463
1,4-bis(1H-imidazol-2-ylmethyl)piperazine
CID 272245
1H-Tetrazole, 5-(1H-imidazol-2-ylmethyl)-
CID 3048690
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 53590281
1-Methyl-1H,1'H-2,2'-biimidazole
CID 15801525
Cupu(Im)2
CID 3035985
1,2-Bis[(1H-imidazol-2-yl)methylidene]hydrazine
CID 139088023
Bis-(1H-imidazol-2-ylmethyl)-amine
CID 21084477
3-(1H-imidazol-2-yl)-1,2,4-triazine
CID 91338063
5-(1H-imidazol-2-yl)-1H-1,2,4-triazole
CID 136085305
1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-3-yl)piperazine
CID 118772218
2-ethyl-3-methyl-1H-imidazol-3-ium;5-(1,1,2,2,2-pentafluoroethyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
CID 141627297

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine (CID 50967146) is 1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine is c1c[nH]c(CN2CCN(CCn3cncn3)CC2)n1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The InChIKey is DXPUVPFDUMQCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-2-15-12(14-1)9-18-5-3-17(4-6-18)7-8-19-11-13-10-16-19/h1-2,10-11H,3-9H2,(H,14,15).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine has a molecular weight of 261.33 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 50967146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).