3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol

C12H14BrN3O2 — CID 94946315

IUPAC3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
SMILESOCCCn1nnc(CO)c1-c1cccc(Br)c1
InChIInChI=1S/C12H14BrN3O2/c13-10-4-1-3-9(7-10)12-11(8-18)14-15-16(12)5-2-6-17/h1,3-4,7,17-18H,2,5-6,8H2
InChIKeyMIOQIDCBVZGHJW-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.58
Rot. Bonds5

About 3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol

3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol (PubChem CID 94946315) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
PubChem CID94946315
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
SMILESOCCCn1nnc(CO)c1-c1cccc(Br)c1
InChIInChI=1S/C12H14BrN3O2/c13-10-4-1-3-9(7-10)12-11(8-18)14-15-16(12)5-2-6-17/h1,3-4,7,17-18H,2,5-6,8H2
InChIKeyMIOQIDCBVZGHJW-UHFFFAOYSA-N
XLogP1.58
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-bromophenyl)-1-(3-hydroxypropyl)triazole-4-carbonitrile
CID 94946316
2-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile
CID 82206450
3-[5-(2-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 94946313
[1-heptyl-5-(3-methylphenyl)triazol-4-yl]methanol
CID 82208036
5-(3-fluorophenyl)-1-(3-hydroxypropyl)triazole-4-carbonitrile
CID 82211495
[5-(3-bromophenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
CID 94944816
[1-butyl-5-(3,4-dichlorophenyl)triazol-4-yl]methanol
CID 82205346
[5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207882
[5-(3,4-dimethylphenyl)-1-heptyltriazol-4-yl]methanol
CID 82208060
3-[5-(3-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
CID 82210298
2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol
CID 82210098
2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol
CID 82210126

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol (CID 94946315) is 3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol is OCCCn1nnc(CO)c1-c1cccc(Br)c1.
What is the InChIKey of 3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
The InChIKey is MIOQIDCBVZGHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c13-10-4-1-3-9(7-10)12-11(8-18)14-15-16(12)5-2-6-17/h1,3-4,7,17-18H,2,5-6,8H2.
What are the key properties of 3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol has a molecular weight of 312.17 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol is sourced from PubChem (CID 94946315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).