4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine

C10H7BrN6O — CID 17085472

IUPAC4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-n1nncc1-c1ccc(Br)cc1
InChIInChI=1S/C10H7BrN6O/c11-7-3-1-6(2-4-7)8-5-13-16-17(8)10-9(12)14-18-15-10/h1-5H,(H2,12,14)
InChIKeyODGLNWMOLPABSA-UHFFFAOYSA-N
MW307.11 g/mol
LogP1.66
Rot. Bonds2

About 4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine

4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 17085472) has the molecular formula C10H7BrN6O and a molecular weight of 307.11 g/mol. Its IUPAC name is 4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine
PubChem CID17085472
Molecular FormulaC10H7BrN6O
Molecular Weight307.11 g/mol
Exact Mass305.99
IUPAC Name4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-n1nncc1-c1ccc(Br)cc1
InChIInChI=1S/C10H7BrN6O/c11-7-3-1-6(2-4-7)8-5-13-16-17(8)10-9(12)14-18-15-10/h1-5H,(H2,12,14)
InChIKeyODGLNWMOLPABSA-UHFFFAOYSA-N
XLogP1.66
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.11
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine (CID 17085472) is 4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-n1nncc1-c1ccc(Br)cc1.
What is the InChIKey of 4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is ODGLNWMOLPABSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN6O/c11-7-3-1-6(2-4-7)8-5-13-16-17(8)10-9(12)14-18-15-10/h1-5H,(H2,12,14).
What are the key properties of 4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine?
4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 307.11 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 17085472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).