1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol

C10H13N3OS — CID 107045765

IUPAC1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol
SMILESCn1cc(CC(C)(O)c2cccs2)nn1
InChIInChI=1S/C10H13N3OS/c1-10(14,9-4-3-5-15-9)6-8-7-13(2)12-11-8/h3-5,7,14H,6H2,1-2H3
InChIKeyYZMRRKFBUHCEPO-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.33
Rot. Bonds3

About 1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol

1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol (PubChem CID 107045765) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol
PubChem CID107045765
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol
SMILESCn1cc(CC(C)(O)c2cccs2)nn1
InChIInChI=1S/C10H13N3OS/c1-10(14,9-4-3-5-15-9)6-8-7-13(2)12-11-8/h3-5,7,14H,6H2,1-2H3
InChIKeyYZMRRKFBUHCEPO-UHFFFAOYSA-N
XLogP1.33
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
1-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]-2-thiophen-2-ylpropan-2-ol
CID 154782174
1-[1-[(1S)-1-(4-fluorophenyl)propyl]triazol-4-yl]-2-thiophen-2-ylpropan-2-ol
CID 167898065
(2S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol
CID 169856095
(2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol
CID 170108070
2-[1-(2-Thiophen-2-ylethyl)triazol-4-yl]ethanol
CID 63773552
1-[1-(2-Thiophen-2-ylethyl)triazol-4-yl]ethanol
CID 81443993
1-(1-Methylpyrazol-3-yl)-2-thiophen-2-ylpropan-2-ol
CID 82869551
4-(2-Methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol
CID 103005866
1-(1-Methylpyrazol-3-yl)-1-thiophen-2-ylethanol
CID 103130107
1-(3-Methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol
CID 105128768
1-(3-Methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105128790

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol (CID 107045765) is 1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol is Cn1cc(CC(C)(O)c2cccs2)nn1.
What is the InChIKey of 1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol?
The InChIKey is YZMRRKFBUHCEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-10(14,9-4-3-5-15-9)6-8-7-13(2)12-11-8/h3-5,7,14H,6H2,1-2H3.
What are the key properties of 1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol?
1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol has a molecular weight of 223.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 107045765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).