cyclopenta[e]oxadiazin-4-amine

C6H5N3O — CID 163016607

IUPACcyclopenta[e]oxadiazin-4-amine
SMILESNc1nnoc2cccc1-2
InChIInChI=1S/C6H5N3O/c7-6-4-2-1-3-5(4)10-9-8-6/h1-3H,7H2
InChIKeyVURDQUHXDHUZPH-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.76
Rot. Bonds

About cyclopenta[e]oxadiazin-4-amine

cyclopenta[e]oxadiazin-4-amine (PubChem CID 163016607) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is cyclopenta[e]oxadiazin-4-amine.

Molecular Properties

Compound Namecyclopenta[e]oxadiazin-4-amine
PubChem CID163016607
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Namecyclopenta[e]oxadiazin-4-amine
SMILESNc1nnoc2cccc1-2
InChIInChI=1S/C6H5N3O/c7-6-4-2-1-3-5(4)10-9-8-6/h1-3H,7H2
InChIKeyVURDQUHXDHUZPH-UHFFFAOYSA-N
XLogP0.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[e]oxadiazin-4-amine?
The IUPAC name of cyclopenta[e]oxadiazin-4-amine (CID 163016607) is cyclopenta[e]oxadiazin-4-amine.
What is the SMILES notation for cyclopenta[e]oxadiazin-4-amine?
The canonical SMILES for cyclopenta[e]oxadiazin-4-amine is Nc1nnoc2cccc1-2.
What is the InChIKey of cyclopenta[e]oxadiazin-4-amine?
The InChIKey is VURDQUHXDHUZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c7-6-4-2-1-3-5(4)10-9-8-6/h1-3H,7H2.
What are the key properties of cyclopenta[e]oxadiazin-4-amine?
cyclopenta[e]oxadiazin-4-amine has a molecular weight of 135.13 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[e]oxadiazin-4-amine is sourced from PubChem (CID 163016607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).