3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one

C9H14N4O — CID 114571479

IUPAC3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one
SMILESCCC1(N)CN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C9H14N4O/c1-2-9(10)5-13(6-9)7-8(14)12-4-3-11-7/h3-4H,2,5-6,10H2,1H3,(H,12,14)
InChIKeyPECNJHIKWLQUKD-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.30
Rot. Bonds2

About 3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one

3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one (PubChem CID 114571479) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one
PubChem CID114571479
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one
SMILESCCC1(N)CN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C9H14N4O/c1-2-9(10)5-13(6-9)7-8(14)12-4-3-11-7/h3-4H,2,5-6,10H2,1H3,(H,12,14)
InChIKeyPECNJHIKWLQUKD-UHFFFAOYSA-N
XLogP-0.30
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one (CID 114571479) is 3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one is CCC1(N)CN(c2ncc[nH]c2=O)C1.
What is the InChIKey of 3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one?
The InChIKey is PECNJHIKWLQUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-9(10)5-13(6-9)7-8(14)12-4-3-11-7/h3-4H,2,5-6,10H2,1H3,(H,12,14).
What are the key properties of 3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one?
3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 114571479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).