(5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol

C13H11BrN4O — CID 106461258

IUPAC(5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol
SMILESCn1nnc(Br)c1C(O)c1ccc2ccccc2n1
InChIInChI=1S/C13H11BrN4O/c1-18-11(13(14)16-17-18)12(19)10-7-6-8-4-2-3-5-9(8)15-10/h2-7,12,19H,1H3
InChIKeyZEPMKVYGPGHXFI-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.21
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol

(5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol (PubChem CID 106461258) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol
PubChem CID106461258
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol
SMILESCn1nnc(Br)c1C(O)c1ccc2ccccc2n1
InChIInChI=1S/C13H11BrN4O/c1-18-11(13(14)16-17-18)12(19)10-7-6-8-4-2-3-5-9(8)15-10/h2-7,12,19H,1H3
InChIKeyZEPMKVYGPGHXFI-UHFFFAOYSA-N
XLogP2.21
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106465645
(2-methylphenyl)-quinolin-2-ylmethanol
CID 63222841
(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol
CID 106461399
amino(quinolin-2-yl)methanol
CID 154237779
(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 106461185
(5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol
CID 106461197
(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461945
(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol
CID 106461825
[(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine
CID 106466743
(2-ethylpyrazol-3-yl)-quinolin-2-ylmethanol
CID 63975926
(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol
CID 114030491

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol (CID 106461258) is (5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol is Cn1nnc(Br)c1C(O)c1ccc2ccccc2n1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol?
The InChIKey is ZEPMKVYGPGHXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-18-11(13(14)16-17-18)12(19)10-7-6-8-4-2-3-5-9(8)15-10/h2-7,12,19H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol?
(5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol has a molecular weight of 319.16 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)-quinolin-2-ylmethanol is sourced from PubChem (CID 106461258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).