1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol

C12H17N3OS — CID 114685000

IUPAC1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(C)(O)c1sccc1C
InChIInChI=1S/C12H17N3OS/c1-4-6-15-10(8-13-14-15)12(3,16)11-9(2)5-7-17-11/h5,7-8,16H,4,6H2,1-3H3
InChIKeyQWXASRUKLHOREZ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.31
Rot. Bonds4

About 1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol

1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol (PubChem CID 114685000) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol
PubChem CID114685000
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(C)(O)c1sccc1C
InChIInChI=1S/C12H17N3OS/c1-4-6-15-10(8-13-14-15)12(3,16)11-9(2)5-7-17-11/h5,7-8,16H,4,6H2,1-3H3
InChIKeyQWXASRUKLHOREZ-UHFFFAOYSA-N
XLogP2.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114684630
4-[1-hydroxy-1-(3-propyltriazol-4-yl)ethyl]benzonitrile
CID 114685333
1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol
CID 114910774
2-hydroxy-2-(3-propyltriazol-4-yl)propanal
CID 114685149
1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 114277741
2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol
CID 114684625
1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol
CID 103130169
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 114635759
2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol
CID 84654618
1-(3-methylthiophen-2-yl)-1-phenylethanol
CID 63991510
2-(3-ethyltriazol-4-yl)propan-2-ol
CID 115012063
1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol
CID 116542561

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol (CID 114685000) is 1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol is CCCn1nncc1C(C)(O)c1sccc1C.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol?
The InChIKey is QWXASRUKLHOREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-4-6-15-10(8-13-14-15)12(3,16)11-9(2)5-7-17-11/h5,7-8,16H,4,6H2,1-3H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol?
1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol has a molecular weight of 251.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol is sourced from PubChem (CID 114685000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).