6-pyridin-3-yldiazinan-3-one

C9H11N3O — CID 20559353

IUPAC6-pyridin-3-yldiazinan-3-one
SMILESO=C1CCC(c2cccnc2)NN1
InChIInChI=1S/C9H11N3O/c13-9-4-3-8(11-12-9)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)
InChIKeyQEMMYDKYAJMVSG-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.54
Rot. Bonds1

About 6-pyridin-3-yldiazinan-3-one

6-pyridin-3-yldiazinan-3-one (PubChem CID 20559353) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-pyridin-3-yldiazinan-3-one.

Molecular Properties

Compound Name6-pyridin-3-yldiazinan-3-one
PubChem CID20559353
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name6-pyridin-3-yldiazinan-3-one
SMILESO=C1CCC(c2cccnc2)NN1
InChIInChI=1S/C9H11N3O/c13-9-4-3-8(11-12-9)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)
InChIKeyQEMMYDKYAJMVSG-UHFFFAOYSA-N
XLogP0.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yldiazinan-3-one?
The IUPAC name of 6-pyridin-3-yldiazinan-3-one (CID 20559353) is 6-pyridin-3-yldiazinan-3-one.
What is the SMILES notation for 6-pyridin-3-yldiazinan-3-one?
The canonical SMILES for 6-pyridin-3-yldiazinan-3-one is O=C1CCC(c2cccnc2)NN1.
What is the InChIKey of 6-pyridin-3-yldiazinan-3-one?
The InChIKey is QEMMYDKYAJMVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-9-4-3-8(11-12-9)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13).
What are the key properties of 6-pyridin-3-yldiazinan-3-one?
6-pyridin-3-yldiazinan-3-one has a molecular weight of 177.21 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yldiazinan-3-one is sourced from PubChem (CID 20559353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).