5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one

C12H16N4O2 — CID 104748230

IUPAC5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESNC(Cn1ccn2nccc2c1=O)C1CCOC1
InChIInChI=1S/C12H16N4O2/c13-10(9-2-6-18-8-9)7-15-4-5-16-11(12(15)17)1-3-14-16/h1,3-5,9-10H,2,6-8,13H2
InChIKeyVWVFIIQNRMOXFU-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.14
Rot. Bonds3

About 5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one

5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104748230) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104748230
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESNC(Cn1ccn2nccc2c1=O)C1CCOC1
InChIInChI=1S/C12H16N4O2/c13-10(9-2-6-18-8-9)7-15-4-5-16-11(12(15)17)1-3-14-16/h1,3-5,9-10H,2,6-8,13H2
InChIKeyVWVFIIQNRMOXFU-UHFFFAOYSA-N
XLogP-0.14
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-amino-2-(oxolan-3-yl)ethyl]pyridin-2-one
CID 104747061
5-[2-cyclopropyl-2-(methylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734789
1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine
CID 104747073
5-[2-cyclopentyl-2-(methylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104748219
5-[2-cyclopropyl-2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734770
2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104747821
2-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104748234
1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one
CID 104747379
1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 104747699
5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735161
5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 107523095
5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one
CID 113446718

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104748230) is 5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one is NC(Cn1ccn2nccc2c1=O)C1CCOC1.
What is the InChIKey of 5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VWVFIIQNRMOXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-10(9-2-6-18-8-9)7-15-4-5-16-11(12(15)17)1-3-14-16/h1,3-5,9-10H,2,6-8,13H2.
What are the key properties of 5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 248.29 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104748230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).