[1-(4-bromophenyl)triazol-4-yl]methanol

C9H8BrN3O — CID 53474187

IUPAC[1-(4-bromophenyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C9H8BrN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2
InChIKeyHUVXBOQZBOJHIZ-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.52
Rot. Bonds2

About [1-(4-bromophenyl)triazol-4-yl]methanol

[1-(4-bromophenyl)triazol-4-yl]methanol (PubChem CID 53474187) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is [1-(4-bromophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromophenyl)triazol-4-yl]methanol
PubChem CID53474187
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name[1-(4-bromophenyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C9H8BrN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2
InChIKeyHUVXBOQZBOJHIZ-UHFFFAOYSA-N
XLogP1.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-bromophenyl)triazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-phenyl-1H-1,2,3-triazol-4-yl)methanol
CID 708707
2-(1-phenyl-1H-1,2,3-triazol-4-yl)propan-2-ol
CID 71594942
(1-(2-methylphenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 53474093
1-(4-Bromophenyl)-4-(difluoromethyl)triazole
CID 16074345
[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474006
[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474092
[1-(3-methylphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56659983
[1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56828290
[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56828292
(1-(2-bromophenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 46948750
1H-1,2,3-Triazole-4-methanol, alpha-methyl-1-phenyl-
CID 19880800
[1-(4-aminophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 75355747

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(4-bromophenyl)triazol-4-yl]methanol (CID 53474187) is [1-(4-bromophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(4-bromophenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(4-bromophenyl)triazol-4-yl]methanol is OCc1cn(-c2ccc(Br)cc2)nn1.
What is the InChIKey of [1-(4-bromophenyl)triazol-4-yl]methanol?
The InChIKey is HUVXBOQZBOJHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2.
What are the key properties of [1-(4-bromophenyl)triazol-4-yl]methanol?
[1-(4-bromophenyl)triazol-4-yl]methanol has a molecular weight of 254.09 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 53474187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).