1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine

C20H25N5O — CID 167818462

IUPAC1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine
SMILESCCn1c(Cc2ccccc2)nnc1N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H25N5O/c1-2-25-19(15-17-7-4-3-5-8-17)21-22-20(25)24-12-10-23(11-13-24)16-18-9-6-14-26-18/h3-9,14H,2,10-13,15-16H2,1H3
InChIKeyVQXJVTWFANACAH-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.80
Rot. Bonds6

About 1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine

1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine (PubChem CID 167818462) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine
PubChem CID167818462
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine
SMILESCCn1c(Cc2ccccc2)nnc1N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H25N5O/c1-2-25-19(15-17-7-4-3-5-8-17)21-22-20(25)24-12-10-23(11-13-24)16-18-9-6-14-26-18/h3-9,14H,2,10-13,15-16H2,1H3
InChIKeyVQXJVTWFANACAH-UHFFFAOYSA-N
XLogP2.80
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine?
The IUPAC name of 1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine (CID 167818462) is 1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine is CCn1c(Cc2ccccc2)nnc1N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine?
The InChIKey is VQXJVTWFANACAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-25-19(15-17-7-4-3-5-8-17)21-22-20(25)24-12-10-23(11-13-24)16-18-9-6-14-26-18/h3-9,14H,2,10-13,15-16H2,1H3.
What are the key properties of 1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine?
1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine has a molecular weight of 351.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine is sourced from PubChem (CID 167818462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).