oxadiazole;1,3-oxazole;triazine

C8H8N6O2 — CID 157165635

IUPACoxadiazole;1,3-oxazole;triazine
SMILESc1cnnnc1.c1cocn1.c1conn1
InChIInChI=1S/C3H3N3.C3H3NO.C2H2N2O/c1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1/h1-3H;1-3H;1-2H
InChIKeyAMWJCKALKLVYGK-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.62
Rot. Bonds

About oxadiazole;1,3-oxazole;triazine

oxadiazole;1,3-oxazole;triazine (PubChem CID 157165635) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is oxadiazole;1,3-oxazole;triazine.

Molecular Properties

Compound Nameoxadiazole;1,3-oxazole;triazine
PubChem CID157165635
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Nameoxadiazole;1,3-oxazole;triazine
SMILESc1cnnnc1.c1cocn1.c1conn1
InChIInChI=1S/C3H3N3.C3H3NO.C2H2N2O/c1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1/h1-3H;1-3H;1-2H
InChIKeyAMWJCKALKLVYGK-UHFFFAOYSA-N
XLogP0.62
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of oxadiazole;1,3-oxazole;triazine?
The IUPAC name of oxadiazole;1,3-oxazole;triazine (CID 157165635) is oxadiazole;1,3-oxazole;triazine.
What is the SMILES notation for oxadiazole;1,3-oxazole;triazine?
The canonical SMILES for oxadiazole;1,3-oxazole;triazine is c1cnnnc1.c1cocn1.c1conn1.
What is the InChIKey of oxadiazole;1,3-oxazole;triazine?
The InChIKey is AMWJCKALKLVYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.C3H3NO.C2H2N2O/c1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1/h1-3H;1-3H;1-2H.
What are the key properties of oxadiazole;1,3-oxazole;triazine?
oxadiazole;1,3-oxazole;triazine has a molecular weight of 220.19 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;1,3-oxazole;triazine is sourced from PubChem (CID 157165635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).