2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C18H22N6O4 — CID 22513270

IUPAC2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cn1ncn2nc(-c3ccco3)cc2c1=O)NCCCN1CCOCC1
InChIInChI=1S/C18H22N6O4/c25-17(19-4-2-5-22-6-9-27-10-7-22)12-23-18(26)15-11-14(16-3-1-8-28-16)21-24(15)13-20-23/h1,3,8,11,13H,2,4-7,9-10,12H2,(H,19,25)
InChIKeyASMZVFQPOOHSOM-UHFFFAOYSA-N
MW386.41 g/mol
LogP-0.01
Rot. Bonds7

About 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 22513270) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID22513270
Molecular FormulaC18H22N6O4
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cn1ncn2nc(-c3ccco3)cc2c1=O)NCCCN1CCOCC1
InChIInChI=1S/C18H22N6O4/c25-17(19-4-2-5-22-6-9-27-10-7-22)12-23-18(26)15-11-14(16-3-1-8-28-16)21-24(15)13-20-23/h1,3,8,11,13H,2,4-7,9-10,12H2,(H,19,25)
InChIKeyASMZVFQPOOHSOM-UHFFFAOYSA-N
XLogP-0.01
TPSA106.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 22513270) is 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide is O=C(Cn1ncn2nc(-c3ccco3)cc2c1=O)NCCCN1CCOCC1.
What is the InChIKey of 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is ASMZVFQPOOHSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4/c25-17(19-4-2-5-22-6-9-27-10-7-22)12-23-18(26)15-11-14(16-3-1-8-28-16)21-24(15)13-20-23/h1,3,8,11,13H,2,4-7,9-10,12H2,(H,19,25).
What are the key properties of 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 386.41 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 22513270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).