5-pyridin-4-yl-1,3,4-oxadiazol-2-amine

C7H6N4O — CID 12804

IUPAC5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccncc2)o1
InChIInChI=1S/C7H6N4O/c8-7-11-10-6(12-7)5-1-3-9-4-2-5/h1-4H,(H2,8,11)
InChIKeyJQGJTYPZTLAQIC-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.71
Rot. Bonds1

About 5-pyridin-4-yl-1,3,4-oxadiazol-2-amine

5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (PubChem CID 12804) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
PubChem CID12804
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccncc2)o1
InChIInChI=1S/C7H6N4O/c8-7-11-10-6(12-7)5-1-3-9-4-2-5/h1-4H,(H2,8,11)
InChIKeyJQGJTYPZTLAQIC-UHFFFAOYSA-N
XLogP0.71
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (CID 12804) is 5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccncc2)o1.
What is the InChIKey of 5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is JQGJTYPZTLAQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c8-7-11-10-6(12-7)5-1-3-9-4-2-5/h1-4H,(H2,8,11).
What are the key properties of 5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
5-pyridin-4-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 162.15 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 12804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).