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

C10H14N4OS — CID 103699697

IUPAC2-[(1-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCn1cc(CNCC(O)c2ccsc2)nn1
InChIInChI=1S/C10H14N4OS/c1-14-6-9(12-13-14)4-11-5-10(15)8-2-3-16-7-8/h2-3,6-7,10-11,15H,4-5H2,1H3
InChIKeyNHQWGKKUBPGWLL-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.70
Rot. Bonds5

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

2-[(1-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 103699697) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[(1-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(1-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol
PubChem CID103699697
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-[(1-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCn1cc(CNCC(O)c2ccsc2)nn1
InChIInChI=1S/C10H14N4OS/c1-14-6-9(12-13-14)4-11-5-10(15)8-2-3-16-7-8/h2-3,6-7,10-11,15H,4-5H2,1H3
InChIKeyNHQWGKKUBPGWLL-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

N-[(S)-2-hydroxy-2-(3-methyl-2-thienyl)ethyl]-1-methyl-1H-1,2,3-triazole-4-carboxamide
CID 99873642
(2R)-2-[4-[(S)-cyclohexyl-[[hydroxy(thiophen-3-yl)methyl]amino]methyl]triazol-1-yl]propane-1,1-diol
CID 144245846
N-[(1-methyltriazol-4-yl)methyl]-2-thiophen-3-ylethanamine
CID 62756700
[1-(2-Thiophen-3-ylethyl)triazol-4-yl]methanol
CID 64086709
N-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]propan-1-amine
CID 66193540
N-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine
CID 66194245
N-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]ethanamine
CID 66194483
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

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(1-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol (CID 103699697) is 2-[(1-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(1-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(1-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol is Cn1cc(CNCC(O)c2ccsc2)nn1.
What is the InChIKey of 2-[(1-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is NHQWGKKUBPGWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-14-6-9(12-13-14)4-11-5-10(15)8-2-3-16-7-8/h2-3,6-7,10-11,15H,4-5H2,1H3.
What are the key properties of 2-[(1-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol?
2-[(1-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-[(1-methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103699697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).