5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one

C11H16N4O2 — CID 104735369

IUPAC5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCOCCNCCn1ccn2nccc2c1=O
InChIInChI=1S/C11H16N4O2/c1-17-9-5-12-4-6-14-7-8-15-10(11(14)16)2-3-13-15/h2-3,7-8,12H,4-6,9H2,1H3
InChIKeyUYHMSFORWZNGPK-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.27
Rot. Bonds6

About 5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one

5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735369) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735369
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCOCCNCCn1ccn2nccc2c1=O
InChIInChI=1S/C11H16N4O2/c1-17-9-5-12-4-6-14-7-8-15-10(11(14)16)2-3-13-15/h2-3,7-8,12H,4-6,9H2,1H3
InChIKeyUYHMSFORWZNGPK-UHFFFAOYSA-N
XLogP-0.27
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104735369) is 5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one is COCCNCCn1ccn2nccc2c1=O.
What is the InChIKey of 5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is UYHMSFORWZNGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-9-5-12-4-6-14-7-8-15-10(11(14)16)2-3-13-15/h2-3,7-8,12H,4-6,9H2,1H3.
What are the key properties of 5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 236.28 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).