4-purin-9-yloxadiazole

C7H4N6O — CID 69166767

IUPAC4-purin-9-yloxadiazole
SMILESc1ncc2ncn(-c3conn3)c2n1
InChIInChI=1S/C7H4N6O/c1-5-7(9-3-8-1)13(4-10-5)6-2-14-12-11-6/h1-4H
InChIKeyVFXAHSFUTJDUBV-UHFFFAOYSA-N
MW188.15 g/mol
LogP0.20
Rot. Bonds1

About 4-purin-9-yloxadiazole

4-purin-9-yloxadiazole (PubChem CID 69166767) has the molecular formula C7H4N6O and a molecular weight of 188.15 g/mol. Its IUPAC name is 4-purin-9-yloxadiazole.

Molecular Properties

Compound Name4-purin-9-yloxadiazole
PubChem CID69166767
Molecular FormulaC7H4N6O
Molecular Weight188.15 g/mol
Exact Mass188.04
IUPAC Name4-purin-9-yloxadiazole
SMILESc1ncc2ncn(-c3conn3)c2n1
InChIInChI=1S/C7H4N6O/c1-5-7(9-3-8-1)13(4-10-5)6-2-14-12-11-6/h1-4H
InChIKeyVFXAHSFUTJDUBV-UHFFFAOYSA-N
XLogP0.20
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-purin-9-yloxadiazole?
The IUPAC name of 4-purin-9-yloxadiazole (CID 69166767) is 4-purin-9-yloxadiazole.
What is the SMILES notation for 4-purin-9-yloxadiazole?
The canonical SMILES for 4-purin-9-yloxadiazole is c1ncc2ncn(-c3conn3)c2n1.
What is the InChIKey of 4-purin-9-yloxadiazole?
The InChIKey is VFXAHSFUTJDUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N6O/c1-5-7(9-3-8-1)13(4-10-5)6-2-14-12-11-6/h1-4H.
What are the key properties of 4-purin-9-yloxadiazole?
4-purin-9-yloxadiazole has a molecular weight of 188.15 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-purin-9-yloxadiazole is sourced from PubChem (CID 69166767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).