3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol

C13H20N4OS — CID 66269133

IUPAC3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCc1ccc(C(C)NCc2cn(CCCO)nn2)s1
InChIInChI=1S/C13H20N4OS/c1-10-4-5-13(19-10)11(2)14-8-12-9-17(16-15-12)6-3-7-18/h4-5,9,11,14,18H,3,6-8H2,1-2H3
InChIKeyPYOOUDWCOXGDEF-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.88
Rot. Bonds7

About 3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66269133) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66269133
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCc1ccc(C(C)NCc2cn(CCCO)nn2)s1
InChIInChI=1S/C13H20N4OS/c1-10-4-5-13(19-10)11(2)14-8-12-9-17(16-15-12)6-3-7-18/h4-5,9,11,14,18H,3,6-8H2,1-2H3
InChIKeyPYOOUDWCOXGDEF-UHFFFAOYSA-N
XLogP1.88
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol with MolForge

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Related Compounds

3-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81348534
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
3-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81367670
2-[4-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]triazol-1-yl]ethanol
CID 66268505
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
3-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81379401
3-[4-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81389472
2-[4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66270187
3-[4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81372814
2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66268295
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
2-[4-[[[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]ethanol
CID 81351583

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol (CID 66269133) is 3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol is Cc1ccc(C(C)NCc2cn(CCCO)nn2)s1.
What is the InChIKey of 3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is PYOOUDWCOXGDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-10-4-5-13(19-10)11(2)14-8-12-9-17(16-15-12)6-3-7-18/h4-5,9,11,14,18H,3,6-8H2,1-2H3.
What are the key properties of 3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 280.40 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66269133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).