5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine

C5H5BrN6O — CID 130597507

IUPAC5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCn1nnc(Br)c1-c1nnc(N)o1
InChIInChI=1S/C5H5BrN6O/c1-12-2(3(6)8-11-12)4-9-10-5(7)13-4/h1H3,(H2,7,10)
InChIKeyHVOYDLMOAPVASU-UHFFFAOYSA-N
MW245.04 g/mol
LogP0.21
Rot. Bonds1

About 5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine

5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 130597507) has the molecular formula C5H5BrN6O and a molecular weight of 245.04 g/mol. Its IUPAC name is 5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID130597507
Molecular FormulaC5H5BrN6O
Molecular Weight245.04 g/mol
Exact Mass243.97
IUPAC Name5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCn1nnc(Br)c1-c1nnc(N)o1
InChIInChI=1S/C5H5BrN6O/c1-12-2(3(6)8-11-12)4-9-10-5(7)13-4/h1H3,(H2,7,10)
InChIKeyHVOYDLMOAPVASU-UHFFFAOYSA-N
XLogP0.21
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.04
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine (CID 130597507) is 5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine is Cn1nnc(Br)c1-c1nnc(N)o1.
What is the InChIKey of 5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HVOYDLMOAPVASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN6O/c1-12-2(3(6)8-11-12)4-9-10-5(7)13-4/h1H3,(H2,7,10).
What are the key properties of 5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine?
5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 245.04 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 130597507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).