(5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol

C9H10BrN3OS — CID 106461173

IUPAC(5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2c(Br)nnn2C)s1
InChIInChI=1S/C9H10BrN3OS/c1-5-3-4-6(15-5)8(14)7-9(10)11-12-13(7)2/h3-4,8,14H,1-2H3
InChIKeyHHZGQFDATNJUKX-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.03
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol

(5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol (PubChem CID 106461173) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol
PubChem CID106461173
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2c(Br)nnn2C)s1
InChIInChI=1S/C9H10BrN3OS/c1-5-3-4-6(15-5)8(14)7-9(10)11-12-13(7)2/h3-4,8,14H,1-2H3
InChIKeyHHZGQFDATNJUKX-UHFFFAOYSA-N
XLogP2.03
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.03
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
(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
[1-Prop-2-enyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82204570
[1-Propyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82204980
[1-Butyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82205361
[1-Pentyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82205714
[1-Hexyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82206010
[1-Propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82206895
[1-Ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82207304
[1-Methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82207719

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol (CID 106461173) is (5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol is Cc1ccc(C(O)c2c(Br)nnn2C)s1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol?
The InChIKey is HHZGQFDATNJUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c1-5-3-4-6(15-5)8(14)7-9(10)11-12-13(7)2/h3-4,8,14H,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol has a molecular weight of 288.17 g/mol, XLogP of 2.03, 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-methylthiophen-2-yl)methanol is sourced from PubChem (CID 106461173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).