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

C11H16N4O — CID 104734768

IUPAC5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCCNCCn1ccn2nccc2c1=O
InChIInChI=1S/C11H16N4O/c1-2-4-12-6-7-14-8-9-15-10(11(14)16)3-5-13-15/h3,5,8-9,12H,2,4,6-7H2,1H3
InChIKeyZMHMXBDQBABREZ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.50
Rot. Bonds5

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

5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104734768) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104734768
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCCNCCn1ccn2nccc2c1=O
InChIInChI=1S/C11H16N4O/c1-2-4-12-6-7-14-8-9-15-10(11(14)16)3-5-13-15/h3,5,8-9,12H,2,4,6-7H2,1H3
InChIKeyZMHMXBDQBABREZ-UHFFFAOYSA-N
XLogP0.50
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104734768) is 5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one is CCCNCCn1ccn2nccc2c1=O.
What is the InChIKey of 5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ZMHMXBDQBABREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-4-12-6-7-14-8-9-15-10(11(14)16)3-5-13-15/h3,5,8-9,12H,2,4,6-7H2,1H3.
What are the key properties of 5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 220.28 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104734768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).