2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol

C10H14N4OS — CID 103739375

IUPAC2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCn1nncc1CNCC(O)c1ccsc1
InChIInChI=1S/C10H14N4OS/c1-14-9(5-12-13-14)4-11-6-10(15)8-2-3-16-7-8/h2-3,5,7,10-11,15H,4,6H2,1H3
InChIKeyOLVQRWSIAGPNGB-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.70
Rot. Bonds5

About 2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol

2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 103739375) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol
PubChem CID103739375
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCn1nncc1CNCC(O)c1ccsc1
InChIInChI=1S/C10H14N4OS/c1-14-9(5-12-13-14)4-11-6-10(15)8-2-3-16-7-8/h2-3,5,7,10-11,15H,4,6H2,1H3
InChIKeyOLVQRWSIAGPNGB-UHFFFAOYSA-N
XLogP0.70
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]ethanamine
CID 66206034
3-[4-[(2-Thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268942
3-[4-[(1-Thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269132
2-[4-[(2-Thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol
CID 66269446
2-[4-[(1-Thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66269447
2-[4-[(1-Thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol
CID 66270017
3-[4-[(1-Thiophen-3-ylethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270860
3-[(3-Methyltriazol-4-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 75436144
2-[4-[[(3-Methylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanol
CID 80250013
2-[4-[[(3-Ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanol
CID 80250286
1-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 81444853
(1S,3S)-3-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 97329294

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol (CID 103739375) is 2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol is Cn1nncc1CNCC(O)c1ccsc1.
What is the InChIKey of 2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is OLVQRWSIAGPNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-14-9(5-12-13-14)4-11-6-10(15)8-2-3-16-7-8/h2-3,5,7,10-11,15H,4,6H2,1H3.
What are the key properties of 2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 238.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103739375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).