(5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol

C11H12BrN3OS — CID 106465463

IUPAC(5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C11H12BrN3OS/c1-15-9(11(12)13-14-15)10(16)8-5-6-3-2-4-7(6)17-8/h5,10,16H,2-4H2,1H3
InChIKeyVQNBQAIVPSARHB-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.21
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol

(5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol (PubChem CID 106465463) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
PubChem CID106465463
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C11H12BrN3OS/c1-15-9(11(12)13-14-15)10(16)8-5-6-3-2-4-7(6)17-8/h5,10,16H,2-4H2,1H3
InChIKeyVQNBQAIVPSARHB-UHFFFAOYSA-N
XLogP2.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Bromo-3-methyltriazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 106461189
(5-Bromo-3-methyltriazol-4-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 106465419
(5-Bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 106465440
(4-Bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 102829636
1-(5-Bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol
CID 106461100
(5-Bromo-3-methyltriazol-4-yl)-(5-bromothiophen-2-yl)methanol
CID 106461122
(5-Bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-Bromo-3-methyltriazol-4-yl)-thiophen-2-ylmethanol
CID 106461147
(5-Bromo-3-methyltriazol-4-yl)-(3-methylthiophen-2-yl)methanol
CID 106461166
(5-Bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol
CID 106461173
1-Benzothiophen-3-yl-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461193
(5-Bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol
CID 106461206

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol (CID 106465463) is (5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol is Cn1nnc(Br)c1C(O)c1cc2c(s1)CCC2.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol?
The InChIKey is VQNBQAIVPSARHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-15-9(11(12)13-14-15)10(16)8-5-6-3-2-4-7(6)17-8/h5,10,16H,2-4H2,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol has a molecular weight of 314.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol is sourced from PubChem (CID 106465463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).