1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol

C7H12BrN3O2 — CID 106461801

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol
SMILESCOCCC(O)c1c(Br)nnn1C
InChIInChI=1S/C7H12BrN3O2/c1-11-6(7(8)9-10-11)5(12)3-4-13-2/h5,12H,3-4H2,1-2H3
InChIKeyVFUHFRCHXVZQBH-UHFFFAOYSA-N
MW250.10 g/mol
LogP0.65
Rot. Bonds4

About 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol

1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol (PubChem CID 106461801) has the molecular formula C7H12BrN3O2 and a molecular weight of 250.10 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol
PubChem CID106461801
Molecular FormulaC7H12BrN3O2
Molecular Weight250.10 g/mol
Exact Mass249.01
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol
SMILESCOCCC(O)c1c(Br)nnn1C
InChIInChI=1S/C7H12BrN3O2/c1-11-6(7(8)9-10-11)5(12)3-4-13-2/h5,12H,3-4H2,1-2H3
InChIKeyVFUHFRCHXVZQBH-UHFFFAOYSA-N
XLogP0.65
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-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

1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol
CID 106461231
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol
CID 106465546
1-(5-bromo-3-methyltriazol-4-yl)-3-ethylsulfanylpropan-1-ol
CID 106461419
1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol
CID 106461816
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine
CID 106462207
1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol
CID 106465426
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine
CID 106462218
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
CID 114643133
methyl 2-(5-bromo-3-methyltriazol-4-yl)butanoate
CID 106463370
1-(5-bromo-3-methyltriazol-4-yl)-3-ethylpentane-1,2-diol
CID 106462013
methyl 2-(5-bromo-3-methyltriazol-4-yl)hexanoate
CID 106463363
1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106461819

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol (CID 106461801) is 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol is COCCC(O)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol?
The InChIKey is VFUHFRCHXVZQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3O2/c1-11-6(7(8)9-10-11)5(12)3-4-13-2/h5,12H,3-4H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol?
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol has a molecular weight of 250.10 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol is sourced from PubChem (CID 106461801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).