3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one

C11H17N3O2 — CID 114571252

IUPAC3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one
SMILESNC1CCCCCC1Oc1ncc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c12-8-4-2-1-3-5-9(8)16-11-10(15)13-6-7-14-11/h6-9H,1-5,12H2,(H,13,15)
InChIKeyUIVIRNNVKQKUNE-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.81
Rot. Bonds2

About 3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one

3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one (PubChem CID 114571252) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one
PubChem CID114571252
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one
SMILESNC1CCCCCC1Oc1ncc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c12-8-4-2-1-3-5-9(8)16-11-10(15)13-6-7-14-11/h6-9H,1-5,12H2,(H,13,15)
InChIKeyUIVIRNNVKQKUNE-UHFFFAOYSA-N
XLogP0.81
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one?
The IUPAC name of 3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one (CID 114571252) is 3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one?
The canonical SMILES for 3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one is NC1CCCCCC1Oc1ncc[nH]c1=O.
What is the InChIKey of 3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one?
The InChIKey is UIVIRNNVKQKUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-8-4-2-1-3-5-9(8)16-11-10(15)13-6-7-14-11/h6-9H,1-5,12H2,(H,13,15).
What are the key properties of 3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one?
3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one is sourced from PubChem (CID 114571252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).