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

C8H12BrN3O — CID 106463551

IUPAC3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol
SMILESCn1nnc(Br)c1C1CCC(O)C1
InChIInChI=1S/C8H12BrN3O/c1-12-7(8(9)10-11-12)5-2-3-6(13)4-5/h5-6,13H,2-4H2,1H3
InChIKeyXQWHTSXCHYFRBC-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.21
Rot. Bonds1

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

3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol (PubChem CID 106463551) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol
PubChem CID106463551
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol
SMILESCn1nnc(Br)c1C1CCC(O)C1
InChIInChI=1S/C8H12BrN3O/c1-12-7(8(9)10-11-12)5-2-3-6(13)4-5/h5-6,13H,2-4H2,1H3
InChIKeyXQWHTSXCHYFRBC-UHFFFAOYSA-N
XLogP1.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine
CID 106463493
2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine
CID 106463437
5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide
CID 103354693
5-cyclopropyl-1,4-dimethyltriazole
CID 126758944
2-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine
CID 106463411
(4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 130586615
(5-bromo-3-methyltriazol-4-yl)-cyclopentylmethanone
CID 106461493
3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol
CID 164644976
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 106462912
N-[[2-(5-bromo-3-methyltriazol-4-yl)cyclopentyl]methyl]propan-1-amine
CID 106463945
3-(2-methyltetrazol-5-yl)cyclobutan-1-ol
CID 177227904
(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methanone
CID 106464373

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol?
The IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol (CID 106463551) is 3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol?
The canonical SMILES for 3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol is Cn1nnc(Br)c1C1CCC(O)C1.
What is the InChIKey of 3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol?
The InChIKey is XQWHTSXCHYFRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-12-7(8(9)10-11-12)5-2-3-6(13)4-5/h5-6,13H,2-4H2,1H3.
What are the key properties of 3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol?
3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol has a molecular weight of 246.11 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol is sourced from PubChem (CID 106463551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).