5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine

C12H16N6S — CID 70964372

IUPAC5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(Cc2cn(CCc3ccsc3)nn2)N1
InChIInChI=1S/C12H16N6S/c13-12-14-6-10(15-12)5-11-7-18(17-16-11)3-1-9-2-4-19-8-9/h2,4,7-8,10H,1,3,5-6H2,(H3,13,14,15)
InChIKeyRCEXZLMWSWVGBW-UHFFFAOYSA-N
MW276.37 g/mol
LogP0.41
Rot. Bonds5

About 5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine

5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 70964372) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID70964372
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(Cc2cn(CCc3ccsc3)nn2)N1
InChIInChI=1S/C12H16N6S/c13-12-14-6-10(15-12)5-11-7-18(17-16-11)3-1-9-2-4-19-8-9/h2,4,7-8,10H,1,3,5-6H2,(H3,13,14,15)
InChIKeyRCEXZLMWSWVGBW-UHFFFAOYSA-N
XLogP0.41
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine with MolForge

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Related Compounds

5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
CID 57914346
5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine
CID 57914353
5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 70964432
N'-[(E)-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]pent-2-en-3-yl]butanimidamide
CID 90957129
N-[(1-methyltriazol-4-yl)methyl]-2-thiophen-3-ylethanamine
CID 62756700
N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 62756701
N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 62839938
[1-(2-Thiophen-3-ylethyl)triazol-4-yl]methanamine
CID 64085794
2-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]propan-2-amine
CID 64085795
2-methyl-N-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66192264
N-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66192408
N-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192827

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 70964372) is 5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine is NC1=NCC(Cc2cn(CCc3ccsc3)nn2)N1.
What is the InChIKey of 5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is RCEXZLMWSWVGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c13-12-14-6-10(15-12)5-11-7-18(17-16-11)3-1-9-2-4-19-8-9/h2,4,7-8,10H,1,3,5-6H2,(H3,13,14,15).
What are the key properties of 5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 276.37 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 70964372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).