5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one

C12H18N4O — CID 113446718

IUPAC5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(N)CCCCn1ccn2nccc2c1=O
InChIInChI=1S/C12H18N4O/c1-10(13)4-2-3-7-15-8-9-16-11(12(15)17)5-6-14-16/h5-6,8-10H,2-4,7,13H2,1H3
InChIKeyRSTVARTTZIASDH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.01
Rot. Bonds5

About 5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one

5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 113446718) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID113446718
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(N)CCCCn1ccn2nccc2c1=O
InChIInChI=1S/C12H18N4O/c1-10(13)4-2-3-7-15-8-9-16-11(12(15)17)5-6-14-16/h5-6,8-10H,2-4,7,13H2,1H3
InChIKeyRSTVARTTZIASDH-UHFFFAOYSA-N
XLogP1.01
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.01
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-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one (CID 113446718) is 5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one is CC(N)CCCCn1ccn2nccc2c1=O.
What is the InChIKey of 5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RSTVARTTZIASDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10(13)4-2-3-7-15-8-9-16-11(12(15)17)5-6-14-16/h5-6,8-10H,2-4,7,13H2,1H3.
What are the key properties of 5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one?
5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 234.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 113446718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).