(5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol

C10H7BrF3N3O — CID 106461202

IUPAC(5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H7BrF3N3O/c1-17-8(10(11)15-16-17)9(18)4-2-5(12)7(14)6(13)3-4/h2-3,9,18H,1H3
InChIKeyZYDYNVKEDSDEEW-UHFFFAOYSA-N
MW322.08 g/mol
LogP2.08
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol

(5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol (PubChem CID 106461202) has the molecular formula C10H7BrF3N3O and a molecular weight of 322.08 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
PubChem CID106461202
Molecular FormulaC10H7BrF3N3O
Molecular Weight322.08 g/mol
Exact Mass320.97
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H7BrF3N3O/c1-17-8(10(11)15-16-17)9(18)4-2-5(12)7(14)6(13)3-4/h2-3,9,18H,1H3
InChIKeyZYDYNVKEDSDEEW-UHFFFAOYSA-N
XLogP2.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[5-(3,4-Difluorophenyl)-3-methyltriazol-4-yl]methanol
CID 90021444
(4-Fluorophenyl)(1-methyl-1H-1,2,3-triazol-4-yl)methanol
CID 124180140
[5-(2,4-Difluorophenyl)-3-methyltriazol-4-yl]methanol
CID 157046445
[5-Bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol
CID 10761918
[5-[(4-Fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol
CID 82204986
[1-Butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 82205367
[5-[(4-Fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol
CID 82205720
[1-Ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 82207310
[5-[(4-Fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol
CID 82207725
2-[5-[(4-Fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol
CID 82209999
[3-Octyl-5-(trifluoromethyl)triazol-4-yl]-phenylmethanol
CID 101854991
(5-Bromo-3-methyltriazol-4-yl)-(4-fluoronaphthalen-1-yl)methanol
CID 105602734

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol (CID 106461202) is (5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol is Cn1nnc(Br)c1C(O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol?
The InChIKey is ZYDYNVKEDSDEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3O/c1-17-8(10(11)15-16-17)9(18)4-2-5(12)7(14)6(13)3-4/h2-3,9,18H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol has a molecular weight of 322.08 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 106461202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).