[1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol

C12H14BrN3O — CID 82196981

IUPAC[1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol
SMILESCC(C)c1c(CO)nnn1-c1cccc(Br)c1
InChIInChI=1S/C12H14BrN3O/c1-8(2)12-11(7-17)14-15-16(12)10-5-3-4-9(13)6-10/h3-6,8,17H,7H2,1-2H3
InChIKeyYRJNLYKDFYOEDD-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.65
Rot. Bonds3

About [1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol

[1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol (PubChem CID 82196981) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is [1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol
PubChem CID82196981
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name[1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol
SMILESCC(C)c1c(CO)nnn1-c1cccc(Br)c1
InChIInChI=1S/C12H14BrN3O/c1-8(2)12-11(7-17)14-15-16(12)10-5-3-4-9(13)6-10/h3-6,8,17H,7H2,1-2H3
InChIKeyYRJNLYKDFYOEDD-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol
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[1-[(4-bromophenyl)methyl]-5-propan-2-yltriazol-4-yl]methanol
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[1-(3-bromophenyl)-5-butyltriazol-4-yl]methanamine
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1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine
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1-(3-bromophenyl)-4,5-diiodotriazole
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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol (CID 82196981) is [1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol is CC(C)c1c(CO)nnn1-c1cccc(Br)c1.
What is the InChIKey of [1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol?
The InChIKey is YRJNLYKDFYOEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-8(2)12-11(7-17)14-15-16(12)10-5-3-4-9(13)6-10/h3-6,8,17H,7H2,1-2H3.
What are the key properties of [1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol?
[1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol has a molecular weight of 296.17 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 82196981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).