1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol

C11H20BrN3O — CID 106465426

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1c(Br)nnn1C
InChIInChI=1S/C11H20BrN3O/c1-4-6-8(7-5-2)10(16)9-11(12)13-14-15(9)3/h8,10,16H,4-7H2,1-3H3
InChIKeyUQWUTEJJPXVBRK-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.83
Rot. Bonds6

About 1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol

1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol (PubChem CID 106465426) has the molecular formula C11H20BrN3O and a molecular weight of 290.20 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol
PubChem CID106465426
Molecular FormulaC11H20BrN3O
Molecular Weight290.20 g/mol
Exact Mass289.08
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1c(Br)nnn1C
InChIInChI=1S/C11H20BrN3O/c1-4-6-8(7-5-2)10(16)9-11(12)13-14-15(9)3/h8,10,16H,4-7H2,1-3H3
InChIKeyUQWUTEJJPXVBRK-UHFFFAOYSA-N
XLogP2.83
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-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)-3-ethylpentane-1,2-diol
CID 106462013
1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol
CID 106461231
1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
CID 106462704
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-methoxypropan-1-ol
CID 106461801
1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine
CID 106465292
3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 106463919
methyl 2-(5-bromo-3-methyltriazol-4-yl)hexanoate
CID 106463363
1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine
CID 106462416
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol
CID 106465546
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol (CID 106465426) is 1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol is CCCC(CCC)C(O)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol?
The InChIKey is UQWUTEJJPXVBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-4-6-8(7-5-2)10(16)9-11(12)13-14-15(9)3/h8,10,16H,4-7H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol?
1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol has a molecular weight of 290.20 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol is sourced from PubChem (CID 106465426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).