[4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol

C9H7Br2N3O — CID 107604959

IUPAC[4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nncn1-c1c(Br)cccc1Br
InChIInChI=1S/C9H7Br2N3O/c10-6-2-1-3-7(11)9(6)14-5-12-13-8(14)4-15/h1-3,5,15H,4H2
InChIKeyPUTPWFTVKODOAD-UHFFFAOYSA-N
MW332.98 g/mol
LogP2.28
Rot. Bonds2

About [4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol

[4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 107604959) has the molecular formula C9H7Br2N3O and a molecular weight of 332.98 g/mol. Its IUPAC name is [4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol
PubChem CID107604959
Molecular FormulaC9H7Br2N3O
Molecular Weight332.98 g/mol
Exact Mass330.90
IUPAC Name[4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nncn1-c1c(Br)cccc1Br
InChIInChI=1S/C9H7Br2N3O/c10-6-2-1-3-7(11)9(6)14-5-12-13-8(14)4-15/h1-3,5,15H,4H2
InChIKeyPUTPWFTVKODOAD-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.98
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol
CID 107617995
[4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol
CID 107617996
4-(3-bromo-2-methylphenyl)-3-(chloromethyl)-1,2,4-triazole
CID 107640401
3-bromo-4-(2,6-diphenylphenyl)-1,2,4-triazole
CID 137422331
(4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol
CID 83026916
5-fluoro-2-[3-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid
CID 20565790
3-but-3-enyl-4-(2,6-dimethylphenyl)-1,2,4-triazole
CID 137427445
3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393272
[1,2,4]triazolo[4,3-a]pyridin-5-ylmethanol
CID 122200646
[5-(3-bromo-2-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115397198
2-(2-bromophenyl)-1-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 71791957
2-bromo-6-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 115678631

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol (CID 107604959) is [4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol is OCc1nncn1-c1c(Br)cccc1Br.
What is the InChIKey of [4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is PUTPWFTVKODOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2N3O/c10-6-2-1-3-7(11)9(6)14-5-12-13-8(14)4-15/h1-3,5,15H,4H2.
What are the key properties of [4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol?
[4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 332.98 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 107604959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).