(5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol

C8H8BrN3OS — CID 105128677

IUPAC(5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1csc(Br)c1
InChIInChI=1S/C8H8BrN3OS/c1-12-6(3-10-11-12)8(13)5-2-7(9)14-4-5/h2-4,8,13H,1H3
InChIKeySLLIPHAEWXRPSS-UHFFFAOYSA-N
MW274.14 g/mol
LogP1.72
Rot. Bonds2

About (5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol

(5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 105128677) has the molecular formula C8H8BrN3OS and a molecular weight of 274.14 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID105128677
Molecular FormulaC8H8BrN3OS
Molecular Weight274.14 g/mol
Exact Mass272.96
IUPAC Name(5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1csc(Br)c1
InChIInChI=1S/C8H8BrN3OS/c1-12-6(3-10-11-12)8(13)5-2-7(9)14-4-5/h2-4,8,13H,1H3
InChIKeySLLIPHAEWXRPSS-UHFFFAOYSA-N
XLogP1.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromothiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494632
1-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 81444853
(4-Bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 102829636
(4-Bromo-5-methylthiophen-2-yl)-(3-propyltriazol-4-yl)methanol
CID 102829768
(5-Bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol
CID 105098246
(5-Bromothiophen-3-yl)-pyrazin-2-ylmethanol
CID 105099085
(5-Bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 105126972
1-(3-Propyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105127149
(5-Bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol
CID 105128594
1-(3-Methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105128790
(5-Bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-Bromo-3-methyltriazol-4-yl)-(3-methylthiophen-2-yl)methanol
CID 106461166

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol (CID 105128677) is (5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol is Cn1nncc1C(O)c1csc(Br)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is SLLIPHAEWXRPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3OS/c1-12-6(3-10-11-12)8(13)5-2-7(9)14-4-5/h2-4,8,13H,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
(5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 274.14 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 105128677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).