3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one

C10H15N3O2 — CID 114571243

IUPAC3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one
SMILESNCC1CCCC1Oc1ncc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c11-6-7-2-1-3-8(7)15-10-9(14)12-4-5-13-10/h4-5,7-8H,1-3,6,11H2,(H,12,14)
InChIKeyLXYVPGMKGWQLRU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.28
Rot. Bonds3

About 3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one

3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one (PubChem CID 114571243) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one
PubChem CID114571243
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one
SMILESNCC1CCCC1Oc1ncc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c11-6-7-2-1-3-8(7)15-10-9(14)12-4-5-13-10/h4-5,7-8H,1-3,6,11H2,(H,12,14)
InChIKeyLXYVPGMKGWQLRU-UHFFFAOYSA-N
XLogP0.28
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminocycloheptyl)oxy-1H-pyrazin-2-one
CID 114571252
[2-(5-bromopyrimidin-4-yl)oxycyclopentyl]methanamine
CID 66319999
5-amino-4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one
CID 114586594
4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one
CID 114586518
5-chloro-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 114676101
methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate
CID 66286549
[2-(4-methylphenoxy)cyclopentyl]methanamine
CID 43294044
3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one
CID 115657213
3-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrazin-2-one
CID 103703713
3-[(2-aminocyclopentyl)amino]-1H-pyrazin-2-one
CID 114570941
3-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrazin-2-one
CID 103241797
[2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine
CID 112639060

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one?
The IUPAC name of 3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one (CID 114571243) is 3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one is NCC1CCCC1Oc1ncc[nH]c1=O.
What is the InChIKey of 3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one?
The InChIKey is LXYVPGMKGWQLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-6-7-2-1-3-8(7)15-10-9(14)12-4-5-13-10/h4-5,7-8H,1-3,6,11H2,(H,12,14).
What are the key properties of 3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one?
3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one has a molecular weight of 209.25 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrazin-2-one is sourced from PubChem (CID 114571243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).