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

C19H15N5O5 — CID 22513266

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESO=C(Cn1ncn2nc(-c3ccco3)cc2c1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H15N5O5/c25-18(20-8-12-3-4-16-17(6-12)29-11-28-16)9-23-19(26)14-7-13(15-2-1-5-27-15)22-24(14)10-21-23/h1-7,10H,8-9,11H2,(H,20,25)
InChIKeyNTHJBIBIHXZSNA-UHFFFAOYSA-N
MW393.36 g/mol
LogP1.20
Rot. Bonds5

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

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 22513266) has the molecular formula C19H15N5O5 and a molecular weight of 393.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID22513266
Molecular FormulaC19H15N5O5
Molecular Weight393.36 g/mol
Exact Mass393.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESO=C(Cn1ncn2nc(-c3ccco3)cc2c1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H15N5O5/c25-18(20-8-12-3-4-16-17(6-12)29-11-28-16)9-23-19(26)14-7-13(15-2-1-5-27-15)22-24(14)10-21-23/h1-7,10H,8-9,11H2,(H,20,25)
InChIKeyNTHJBIBIHXZSNA-UHFFFAOYSA-N
XLogP1.20
TPSA112.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513260
N-[(2-ethoxyphenyl)methyl]-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513287
2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-propan-2-ylacetamide
CID 22513267
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956872
2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide
CID 22513269
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 50926057
1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea
CID 91625580
N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857665
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 30607406
N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 7659439
N-(1,3-benzodioxol-5-ylmethyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 5156989
N-[(4-chlorophenyl)methyl]-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279329

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 22513266) is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is O=C(Cn1ncn2nc(-c3ccco3)cc2c1=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is NTHJBIBIHXZSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O5/c25-18(20-8-12-3-4-16-17(6-12)29-11-28-16)9-23-19(26)14-7-13(15-2-1-5-27-15)22-24(14)10-21-23/h1-7,10H,8-9,11H2,(H,20,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 393.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 22513266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).