[3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol

C10H10BrN3O — CID 103084180

IUPAC[3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCc1cc(Br)ccc1-c1n[nH]c(CO)n1
InChIInChI=1S/C10H10BrN3O/c1-6-4-7(11)2-3-8(6)10-12-9(5-15)13-14-10/h2-4,15H,5H2,1H3,(H,12,13,14)
InChIKeyHDLREXHYUDWVCU-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.03
Rot. Bonds2

About [3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol

[3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 103084180) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is [3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol
PubChem CID103084180
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name[3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCc1cc(Br)ccc1-c1n[nH]c(CO)n1
InChIInChI=1S/C10H10BrN3O/c1-6-4-7(11)2-3-8(6)10-12-9(5-15)13-14-10/h2-4,15H,5H2,1H3,(H,12,13,14)
InChIKeyHDLREXHYUDWVCU-UHFFFAOYSA-N
XLogP2.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol (CID 103084180) is [3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol is Cc1cc(Br)ccc1-c1n[nH]c(CO)n1.
What is the InChIKey of [3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is HDLREXHYUDWVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-6-4-7(11)2-3-8(6)10-12-9(5-15)13-14-10/h2-4,15H,5H2,1H3,(H,12,13,14).
What are the key properties of [3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol?
[3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 268.11 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 103084180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).