2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol

C10H14N4OS — CID 66268501

IUPAC2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNCc2ccsc2)nn1
InChIInChI=1S/C10H14N4OS/c15-3-2-14-7-10(12-13-14)6-11-5-9-1-4-16-8-9/h1,4,7-8,11,15H,2-3,5-6H2
InChIKeyVLNSUFFIKPCFPM-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.62
Rot. Bonds6

About 2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol

2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol (PubChem CID 66268501) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol
PubChem CID66268501
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNCc2ccsc2)nn1
InChIInChI=1S/C10H14N4OS/c15-3-2-14-7-10(12-13-14)6-11-5-9-1-4-16-8-9/h1,4,7-8,11,15H,2-3,5-6H2
InChIKeyVLNSUFFIKPCFPM-UHFFFAOYSA-N
XLogP0.62
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
4-(Methylsulfanylmethyl)-1-(thiophen-3-ylmethyl)triazole
CID 68515541
1-(4-Aminopyrazol-1-yl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 43527888
1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 43728987
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55029882
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 55072751
{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanamine
CID 62053952
[1-[(5-Bromothiophen-3-yl)methyl]triazol-4-yl]methanamine
CID 62055144
{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanol
CID 62399992
2-[1-(Thiophen-3-ylmethyl)triazol-4-yl]ethanol
CID 62401722
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine
CID 62421398
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 62421399

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol (CID 66268501) is 2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol is OCCn1cc(CNCc2ccsc2)nn1.
What is the InChIKey of 2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is VLNSUFFIKPCFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c15-3-2-14-7-10(12-13-14)6-11-5-9-1-4-16-8-9/h1,4,7-8,11,15H,2-3,5-6H2.
What are the key properties of 2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 238.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(thiophen-3-ylmethylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66268501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).