4-(7H-purin-8-yl)oxadiazole

C7H4N6O — CID 154350070

IUPAC4-(7H-purin-8-yl)oxadiazole
SMILESc1ncc2[nH]c(-c3conn3)nc2n1
InChIInChI=1S/C7H4N6O/c1-4-6(9-3-8-1)11-7(10-4)5-2-14-13-12-5/h1-3H,(H,8,9,10,11)
InChIKeyKKVODGYEJROIGP-UHFFFAOYSA-N
MW188.15 g/mol
LogP0.40
Rot. Bonds1

About 4-(7H-purin-8-yl)oxadiazole

4-(7H-purin-8-yl)oxadiazole (PubChem CID 154350070) has the molecular formula C7H4N6O and a molecular weight of 188.15 g/mol. Its IUPAC name is 4-(7H-purin-8-yl)oxadiazole.

Molecular Properties

Compound Name4-(7H-purin-8-yl)oxadiazole
PubChem CID154350070
Molecular FormulaC7H4N6O
Molecular Weight188.15 g/mol
Exact Mass188.04
IUPAC Name4-(7H-purin-8-yl)oxadiazole
SMILESc1ncc2[nH]c(-c3conn3)nc2n1
InChIInChI=1S/C7H4N6O/c1-4-6(9-3-8-1)11-7(10-4)5-2-14-13-12-5/h1-3H,(H,8,9,10,11)
InChIKeyKKVODGYEJROIGP-UHFFFAOYSA-N
XLogP0.40
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(7H-purin-8-yl)oxadiazole?
The IUPAC name of 4-(7H-purin-8-yl)oxadiazole (CID 154350070) is 4-(7H-purin-8-yl)oxadiazole.
What is the SMILES notation for 4-(7H-purin-8-yl)oxadiazole?
The canonical SMILES for 4-(7H-purin-8-yl)oxadiazole is c1ncc2[nH]c(-c3conn3)nc2n1.
What is the InChIKey of 4-(7H-purin-8-yl)oxadiazole?
The InChIKey is KKVODGYEJROIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N6O/c1-4-6(9-3-8-1)11-7(10-4)5-2-14-13-12-5/h1-3H,(H,8,9,10,11).
What are the key properties of 4-(7H-purin-8-yl)oxadiazole?
4-(7H-purin-8-yl)oxadiazole has a molecular weight of 188.15 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7H-purin-8-yl)oxadiazole is sourced from PubChem (CID 154350070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).