(2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol

C9H11N3OS — CID 130521768

IUPAC(2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol
SMILESCc1sccc1C(O)c1cn(C)nn1
InChIInChI=1S/C9H11N3OS/c1-6-7(3-4-14-6)9(13)8-5-12(2)11-10-8/h3-5,9,13H,1-2H3
InChIKeyCIZCOVHPTLUSJC-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.27
Rot. Bonds2

About (2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol

(2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol (PubChem CID 130521768) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol
PubChem CID130521768
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name(2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol
SMILESCc1sccc1C(O)c1cn(C)nn1
InChIInChI=1S/C9H11N3OS/c1-6-7(3-4-14-6)9(13)8-5-12(2)11-10-8/h3-5,9,13H,1-2H3
InChIKeyCIZCOVHPTLUSJC-UHFFFAOYSA-N
XLogP1.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol
CID 102829408
(2-methylpyrazol-3-yl)-(1-methyltriazol-4-yl)methanol
CID 130521702
(2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol
CID 166178328
furan-3-yl-(1-methyltriazol-4-yl)methanol
CID 130521695
(2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol
CID 112735964
(2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol
CID 107357767
(1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol
CID 103129342
(4-ethylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842425
(1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol
CID 130602732
(2-methylthiophen-3-yl)-thiophen-3-ylmethanol
CID 102829147
2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol
CID 130602705
1H-imidazol-2-yl-(2-methylthiophen-3-yl)methanol
CID 102831477

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol?
The IUPAC name of (2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol (CID 130521768) is (2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol.
What is the SMILES notation for (2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol?
The canonical SMILES for (2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol is Cc1sccc1C(O)c1cn(C)nn1.
What is the InChIKey of (2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol?
The InChIKey is CIZCOVHPTLUSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-7(3-4-14-6)9(13)8-5-12(2)11-10-8/h3-5,9,13H,1-2H3.
What are the key properties of (2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol?
(2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol has a molecular weight of 209.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol is sourced from PubChem (CID 130521768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).