1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol

C14H18BrN3O — CID 75515190

IUPAC1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol
SMILESCCc1nc(CC)n(CC(O)c2ccc(Br)cc2)n1
InChIInChI=1S/C14H18BrN3O/c1-3-13-16-14(4-2)18(17-13)9-12(19)10-5-7-11(15)8-6-10/h5-8,12,19H,3-4,9H2,1-2H3
InChIKeyRBPUJPGNKVURSU-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.90
Rot. Bonds5

About 1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol

1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol (PubChem CID 75515190) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol
PubChem CID75515190
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol
SMILESCCc1nc(CC)n(CC(O)c2ccc(Br)cc2)n1
InChIInChI=1S/C14H18BrN3O/c1-3-13-16-14(4-2)18(17-13)9-12(19)10-5-7-11(15)8-6-10/h5-8,12,19H,3-4,9H2,1-2H3
InChIKeyRBPUJPGNKVURSU-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-hydroxyethyl]benzonitrile
CID 97157266
(2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol
CID 103935412
2-[2-(4-bromophenyl)-2-hydroxyethyl]-6-methylpyridazin-3-one
CID 110936081
1-[4-bromo-2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol
CID 82970450
2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine
CID 107522830
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610546
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
(3S,4R)-1-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 99107338
(1S)-1-(4-bromophenyl)-2-(1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)ethanol
CID 95363838
1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 62608151
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol (CID 75515190) is 1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol is CCc1nc(CC)n(CC(O)c2ccc(Br)cc2)n1.
What is the InChIKey of 1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol?
The InChIKey is RBPUJPGNKVURSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-13-16-14(4-2)18(17-13)9-12(19)10-5-7-11(15)8-6-10/h5-8,12,19H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol?
1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol has a molecular weight of 324.22 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 75515190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).