1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol

C11H15N3OS — CID 105109200

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol
SMILESCCn1ncnc1CC(O)Cc1ccsc1
InChIInChI=1S/C11H15N3OS/c1-2-14-11(12-8-13-14)6-10(15)5-9-3-4-16-7-9/h3-4,7-8,10,15H,2,5-6H2,1H3
InChIKeyFOBYFPGACXLPJA-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.51
Rot. Bonds5

About 1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol

1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol (PubChem CID 105109200) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol
PubChem CID105109200
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol
SMILESCCn1ncnc1CC(O)Cc1ccsc1
InChIInChI=1S/C11H15N3OS/c1-2-14-11(12-8-13-14)6-10(15)5-9-3-4-16-7-9/h3-4,7-8,10,15H,2,5-6H2,1H3
InChIKeyFOBYFPGACXLPJA-UHFFFAOYSA-N
XLogP1.51
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-thiophen-3-ylpropan-2-ol
CID 105108239
1-(2-ethyl-1,2,4-triazol-3-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105161824
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 46993076
1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105127674
1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 115524867
1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 105109063
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
4-methoxy-1-thiophen-3-ylbutan-2-ol
CID 62606552
1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
CID 105109087
1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312559
3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-ol
CID 116752758
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol (CID 105109200) is 1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol is CCn1ncnc1CC(O)Cc1ccsc1.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol?
The InChIKey is FOBYFPGACXLPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-14-11(12-8-13-14)6-10(15)5-9-3-4-16-7-9/h3-4,7-8,10,15H,2,5-6H2,1H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol?
1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol has a molecular weight of 237.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 105109200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).