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

C11H16N4OS — CID 111862118

IUPAC1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
SMILESCn1nncc1CNCC(C)(O)c1ccsc1
InChIInChI=1S/C11H16N4OS/c1-11(16,9-3-4-17-7-9)8-12-5-10-6-13-14-15(10)2/h3-4,6-7,12,16H,5,8H2,1-2H3
InChIKeyAAZCJGCCEHMVTO-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.87
Rot. Bonds5

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

1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol (PubChem CID 111862118) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
PubChem CID111862118
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
SMILESCn1nncc1CNCC(C)(O)c1ccsc1
InChIInChI=1S/C11H16N4OS/c1-11(16,9-3-4-17-7-9)8-12-5-10-6-13-14-15(10)2/h3-4,6-7,12,16H,5,8H2,1-2H3
InChIKeyAAZCJGCCEHMVTO-UHFFFAOYSA-N
XLogP0.87
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449467
2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol
CID 115745052
1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449453
4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol
CID 103897704
1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449551
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449506
1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
CID 115907531
2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 115682116
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide
CID 133454925
2-[[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methyl]-6-methoxyphenol
CID 111449494
3-tert-butyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methylpyrazole-5-carboxamide
CID 111452270

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol (CID 111862118) is 1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol is Cn1nncc1CNCC(C)(O)c1ccsc1.
What is the InChIKey of 1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The InChIKey is AAZCJGCCEHMVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-11(16,9-3-4-17-7-9)8-12-5-10-6-13-14-15(10)2/h3-4,6-7,12,16H,5,8H2,1-2H3.
What are the key properties of 1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol has a molecular weight of 252.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 111862118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).