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

C10H8N6O — CID 684970

IUPAC4-(5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-n1nncc1-c1ccccc1
InChIInChI=1S/C10H8N6O/c11-9-10(14-17-13-9)16-8(6-12-15-16)7-4-2-1-3-5-7/h1-6H,(H2,11,13)
InChIKeyGUKPQGORZGLHTE-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.90
Rot. Bonds2

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

4-(5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 684970) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 4-(5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine
PubChem CID684970
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name4-(5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-n1nncc1-c1ccccc1
InChIInChI=1S/C10H8N6O/c11-9-10(14-17-13-9)16-8(6-12-15-16)7-4-2-1-3-5-7/h1-6H,(H2,11,13)
InChIKeyGUKPQGORZGLHTE-UHFFFAOYSA-N
XLogP0.90
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine (CID 684970) is 4-(5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-n1nncc1-c1ccccc1.
What is the InChIKey of 4-(5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is GUKPQGORZGLHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c11-9-10(14-17-13-9)16-8(6-12-15-16)7-4-2-1-3-5-7/h1-6H,(H2,11,13).
What are the key properties of 4-(5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine?
4-(5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 228.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 684970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).