1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine

C15H25N7 — CID 50969252

IUPAC1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
SMILESCCc1nc(CN2CCN(CCn3cncn3)CC2)c(C)[nH]1
InChIInChI=1S/C15H25N7/c1-3-15-18-13(2)14(19-15)10-21-6-4-20(5-7-21)8-9-22-12-16-11-17-22/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyLXZFNJKQFJUICR-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.69
Rot. Bonds6

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

1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine (PubChem CID 50969252) has the molecular formula C15H25N7 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
PubChem CID50969252
Molecular FormulaC15H25N7
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC Name1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
SMILESCCc1nc(CN2CCN(CCn3cncn3)CC2)c(C)[nH]1
InChIInChI=1S/C15H25N7/c1-3-15-18-13(2)14(19-15)10-21-6-4-20(5-7-21)8-9-22-12-16-11-17-22/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyLXZFNJKQFJUICR-UHFFFAOYSA-N
XLogP0.69
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine with MolForge

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Related Compounds

1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721798
9-Pentyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]purine
CID 141192267
9-Butyl-3-methyl-7-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]purine
CID 141192280
7-Bromo-9-(4-fluorobutyl)-3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]purine
CID 141192282
3-Methyl-9-pentyl-7-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]purine
CID 141192287
3-methyl-5-(4-methyl-1H-imidazol-5-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 136237787
1-methyl-4-[[5-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 136276433
4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine
CID 136562689
N-ethyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 50956167
N-methyl-1-(4-methyl-1H-imidazol-5-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]methanamine
CID 50978613
1-methyl-4-[(4-methyl-5-{1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)methyl]piperazine
CID 72874253

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine (CID 50969252) is 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine is CCc1nc(CN2CCN(CCn3cncn3)CC2)c(C)[nH]1.
What is the InChIKey of 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The InChIKey is LXZFNJKQFJUICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7/c1-3-15-18-13(2)14(19-15)10-21-6-4-20(5-7-21)8-9-22-12-16-11-17-22/h11-12H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine has a molecular weight of 303.41 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 50969252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).