[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol

C10H10BrN3O — CID 115396985

IUPAC[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1-c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN3O/c1-14-9(6-15)12-13-10(14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3
InChIKeyUWHIQIFEUCAJCY-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.74
Rot. Bonds2

About [5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol

[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115396985) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is [5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID115396985
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1-c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN3O/c1-14-9(6-15)12-13-10(14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3
InChIKeyUWHIQIFEUCAJCY-UHFFFAOYSA-N
XLogP1.74
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 84700554
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CID 79022259
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CID 115396967
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CID 178243199
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CID 113301760
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CID 113301773
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CID 13224129
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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol (CID 115396985) is [5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1-c1ccc(Br)cc1.
What is the InChIKey of [5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is UWHIQIFEUCAJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-14-9(6-15)12-13-10(14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3.
What are the key properties of [5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 268.11 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).