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

C10H12BrN3OS — CID 106461206

IUPAC(5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2c(Br)nnn2C)s1
InChIInChI=1S/C10H12BrN3OS/c1-3-6-4-5-7(16-6)9(15)8-10(11)12-13-14(8)2/h4-5,9,15H,3H2,1-2H3
InChIKeyCWFZTRIQRHMXGU-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.28
Rot. Bonds3

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

(5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol (PubChem CID 106461206) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol
PubChem CID106461206
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2c(Br)nnn2C)s1
InChIInChI=1S/C10H12BrN3OS/c1-3-6-4-5-7(16-6)9(15)8-10(11)12-13-14(8)2/h4-5,9,15H,3H2,1-2H3
InChIKeyCWFZTRIQRHMXGU-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol
CID 106461197
(4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461442
(5-ethylthiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 63426088
(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 106465440
(3-bromothiophen-2-yl)-(5-ethylthiophen-2-yl)methanol
CID 63796271
3-(5-ethylthiophen-2-yl)butan-2-ol
CID 66436532
(4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine
CID 105054323
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol
CID 106461399
(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 90394992
(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol
CID 106461135
1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol
CID 106461231

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol (CID 106461206) is (5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol is CCc1ccc(C(O)c2c(Br)nnn2C)s1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol?
The InChIKey is CWFZTRIQRHMXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-3-6-4-5-7(16-6)9(15)8-10(11)12-13-14(8)2/h4-5,9,15H,3H2,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol has a molecular weight of 302.20 g/mol, XLogP of 2.28, 3 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-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 106461206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).