3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol

C6H9BrN4O — CID 106461280

IUPAC3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol
SMILESCn1nnc(Br)c1C1(O)CNC1
InChIInChI=1S/C6H9BrN4O/c1-11-4(5(7)9-10-11)6(12)2-8-3-6/h8,12H,2-3H2,1H3
InChIKeyDXCPCZGTDHYIML-UHFFFAOYSA-N
MW233.07 g/mol
LogP-0.63
Rot. Bonds1

About 3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol

3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol (PubChem CID 106461280) has the molecular formula C6H9BrN4O and a molecular weight of 233.07 g/mol. Its IUPAC name is 3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol.

Molecular Properties

Compound Name3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol
PubChem CID106461280
Molecular FormulaC6H9BrN4O
Molecular Weight233.07 g/mol
Exact Mass232.00
IUPAC Name3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol
SMILESCn1nnc(Br)c1C1(O)CNC1
InChIInChI=1S/C6H9BrN4O/c1-11-4(5(7)9-10-11)6(12)2-8-3-6/h8,12H,2-3H2,1H3
InChIKeyDXCPCZGTDHYIML-UHFFFAOYSA-N
XLogP-0.63
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol
CID 106461103
2-(5-bromo-3-methyltriazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 106461357
1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol
CID 106461059
1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine
CID 106463347
3-(5-bromo-3-methyltriazol-4-yl)-N,3-dimethylcyclopentan-1-amine
CID 106463546
3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114633976
4-bromo-5-(2,5-dihydro-1H-pyrrol-3-yl)-1-methyltriazole
CID 106463421
5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide
CID 106467603
5-bromo-3-methyltriazole-4-carbothioamide
CID 130586367
N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide
CID 106467081
(5-bromo-3-methyltriazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol
CID 164654571
1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol
CID 106461816

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol?
The IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol (CID 106461280) is 3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol.
What is the SMILES notation for 3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol?
The canonical SMILES for 3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol is Cn1nnc(Br)c1C1(O)CNC1.
What is the InChIKey of 3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol?
The InChIKey is DXCPCZGTDHYIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4O/c1-11-4(5(7)9-10-11)6(12)2-8-3-6/h8,12H,2-3H2,1H3.
What are the key properties of 3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol?
3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol has a molecular weight of 233.07 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-methyltriazol-4-yl)azetidin-3-ol is sourced from PubChem (CID 106461280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).