5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride

C13H17ClN6S — CID 67064299

IUPAC5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CCCc2cn(Cc3ccsc3)nn2)[nH]1
InChIInChI=1S/C13H16N6S.ClH/c14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10;/h4-6,8-9H,1-3,7H2,(H3,14,15,16);1H
InChIKeyKZBXIYILKOJSBW-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.29
Rot. Bonds6

About 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride

5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride (PubChem CID 67064299) has the molecular formula C13H17ClN6S and a molecular weight of 324.84 g/mol. Its IUPAC name is 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride
PubChem CID67064299
Molecular FormulaC13H17ClN6S
Molecular Weight324.84 g/mol
Exact Mass324.09
IUPAC Name5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CCCc2cn(Cc3ccsc3)nn2)[nH]1
InChIInChI=1S/C13H16N6S.ClH/c14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10;/h4-6,8-9H,1-3,7H2,(H3,14,15,16);1H
InChIKeyKZBXIYILKOJSBW-UHFFFAOYSA-N
XLogP2.29
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-imidazol-2-yl)-5-(thiophen-3-ylmethyl)-1H-imidazole
CID 9837518
1-(3-thienylmethyl)-1H,1'H-2,4'-biimidazole
CID 56755360
5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
CID 57914332
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide
CID 57914340
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]-1H-imidazol-2-amine
CID 57914392
5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine
CID 57914410
5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine
CID 58264408
5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine
CID 58528193
5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine
CID 58528196
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride
CID 67063946

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride (CID 67064299) is 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride is Cl.Nc1ncc(CCCc2cn(Cc3ccsc3)nn2)[nH]1.
What is the InChIKey of 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride?
The InChIKey is KZBXIYILKOJSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S.ClH/c14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10;/h4-6,8-9H,1-3,7H2,(H3,14,15,16);1H.
What are the key properties of 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride?
5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride has a molecular weight of 324.84 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 67064299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).