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

C10H12BrN3O2 — CID 106461197

IUPAC(5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol
SMILESCCc1ccc(C(O)c2c(Br)nnn2C)o1
InChIInChI=1S/C10H12BrN3O2/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
InChIKeyRZCHZXMMPMMBAR-UHFFFAOYSA-N
MW286.13 g/mol
LogP1.81
Rot. Bonds3

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

(5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol (PubChem CID 106461197) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol
PubChem CID106461197
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol
SMILESCCc1ccc(C(O)c2c(Br)nnn2C)o1
InChIInChI=1S/C10H12BrN3O2/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
InChIKeyRZCHZXMMPMMBAR-UHFFFAOYSA-N
XLogP1.81
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol
CID 106461206
(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461945
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol
CID 114635196
(7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106465645
(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol
CID 106461142
(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-bromo-3-methyltriazol-4-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanol
CID 106461250
(5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol
CID 106465689
(5-bromo-3-methyltriazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 106461168
(4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461442
1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol
CID 106465426
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-ethylfuran-2-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol (CID 106461197) is (5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol is CCc1ccc(C(O)c2c(Br)nnn2C)o1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol?
The InChIKey is RZCHZXMMPMMBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/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-ethylfuran-2-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol has a molecular weight of 286.13 g/mol, XLogP of 1.81, 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-ethylfuran-2-yl)methanol is sourced from PubChem (CID 106461197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).