1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine

C17H27N5S — CID 75507812

IUPAC1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine
SMILESCC(C)Cn1ncnc1CN1CCN(C(C)c2ccsc2)CC1
InChIInChI=1S/C17H27N5S/c1-14(2)10-22-17(18-13-19-22)11-20-5-7-21(8-6-20)15(3)16-4-9-23-12-16/h4,9,12-15H,5-8,10-11H2,1-3H3
InChIKeyFTMWXFIJQFFFEW-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.87
Rot. Bonds6

About 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine

1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine (PubChem CID 75507812) has the molecular formula C17H27N5S and a molecular weight of 333.50 g/mol. Its IUPAC name is 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine.

Molecular Properties

Compound Name1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine
PubChem CID75507812
Molecular FormulaC17H27N5S
Molecular Weight333.50 g/mol
Exact Mass333.20
IUPAC Name1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine
SMILESCC(C)Cn1ncnc1CN1CCN(C(C)c2ccsc2)CC1
InChIInChI=1S/C17H27N5S/c1-14(2)10-22-17(18-13-19-22)11-20-5-7-21(8-6-20)15(3)16-4-9-23-12-16/h4,9,12-15H,5-8,10-11H2,1-3H3
InChIKeyFTMWXFIJQFFFEW-UHFFFAOYSA-N
XLogP2.87
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine with MolForge

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Related Compounds

1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine
CID 124625428
5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 75508189
N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine
CID 115304991
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-thiophen-3-ylpropan-2-ol
CID 105108239
[4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol
CID 110009710
3-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]benzoic acid
CID 122032905
(2S)-N-cyclopropyl-2-hydroxy-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 129490205
1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol
CID 119036046
[3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
CID 114082090
2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115970091
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
[1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine
CID 62090353

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine?
The IUPAC name of 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine (CID 75507812) is 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine.
What is the SMILES notation for 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine?
The canonical SMILES for 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine is CC(C)Cn1ncnc1CN1CCN(C(C)c2ccsc2)CC1.
What is the InChIKey of 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine?
The InChIKey is FTMWXFIJQFFFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5S/c1-14(2)10-22-17(18-13-19-22)11-20-5-7-21(8-6-20)15(3)16-4-9-23-12-16/h4,9,12-15H,5-8,10-11H2,1-3H3.
What are the key properties of 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine?
1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine has a molecular weight of 333.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine is sourced from PubChem (CID 75507812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).