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

C19H17N5O3 — CID 22513269

IUPAC2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1ncn2nc(-c3ccco3)cc2c1=O)c1ccccc1
InChIInChI=1S/C19H17N5O3/c1-13(14-6-3-2-4-7-14)21-18(25)11-23-19(26)16-10-15(17-8-5-9-27-17)22-24(16)12-20-23/h2-10,12-13H,11H2,1H3,(H,21,25)
InChIKeyPDHYQVSLNPDISW-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.03
Rot. Bonds5

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

2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide (PubChem CID 22513269) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide
PubChem CID22513269
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1ncn2nc(-c3ccco3)cc2c1=O)c1ccccc1
InChIInChI=1S/C19H17N5O3/c1-13(14-6-3-2-4-7-14)21-18(25)11-23-19(26)16-10-15(17-8-5-9-27-17)22-24(16)12-20-23/h2-10,12-13H,11H2,1H3,(H,21,25)
InChIKeyPDHYQVSLNPDISW-UHFFFAOYSA-N
XLogP2.03
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(1-phenylethyl)acetamide?
The IUPAC name of 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide (CID 22513269) is 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide is CC(NC(=O)Cn1ncn2nc(-c3ccco3)cc2c1=O)c1ccccc1.
What is the InChIKey of 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is PDHYQVSLNPDISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-13(14-6-3-2-4-7-14)21-18(25)11-23-19(26)16-10-15(17-8-5-9-27-17)22-24(16)12-20-23/h2-10,12-13H,11H2,1H3,(H,21,25).
What are the key properties of 2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide?
2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 363.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 22513269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).