4-pyridin-4-yloxadiazole

C7H5N3O — CID 67958919

IUPAC4-pyridin-4-yloxadiazole
SMILESc1cc(-c2conn2)ccn1
InChIInChI=1S/C7H5N3O/c1-3-8-4-2-6(1)7-5-11-10-9-7/h1-5H
InChIKeyMAWBFPPVMKRZOO-UHFFFAOYSA-N
MW147.14 g/mol
LogP1.13
Rot. Bonds1

About 4-pyridin-4-yloxadiazole

4-pyridin-4-yloxadiazole (PubChem CID 67958919) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 4-pyridin-4-yloxadiazole.

Molecular Properties

Compound Name4-pyridin-4-yloxadiazole
PubChem CID67958919
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name4-pyridin-4-yloxadiazole
SMILESc1cc(-c2conn2)ccn1
InChIInChI=1S/C7H5N3O/c1-3-8-4-2-6(1)7-5-11-10-9-7/h1-5H
InChIKeyMAWBFPPVMKRZOO-UHFFFAOYSA-N
XLogP1.13
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yloxadiazole?
The IUPAC name of 4-pyridin-4-yloxadiazole (CID 67958919) is 4-pyridin-4-yloxadiazole.
What is the SMILES notation for 4-pyridin-4-yloxadiazole?
The canonical SMILES for 4-pyridin-4-yloxadiazole is c1cc(-c2conn2)ccn1.
What is the InChIKey of 4-pyridin-4-yloxadiazole?
The InChIKey is MAWBFPPVMKRZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c1-3-8-4-2-6(1)7-5-11-10-9-7/h1-5H.
What are the key properties of 4-pyridin-4-yloxadiazole?
4-pyridin-4-yloxadiazole has a molecular weight of 147.14 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yloxadiazole is sourced from PubChem (CID 67958919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).