2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid

C15H14N4O3 — CID 82554586

IUPAC2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid
SMILESCc1[nH]n2c(=O)c(Cc3ccccc3)nnc2c1CC(=O)O
InChIInChI=1S/C15H14N4O3/c1-9-11(8-13(20)21)14-17-16-12(15(22)19(14)18-9)7-10-5-3-2-4-6-10/h2-6,18H,7-8H2,1H3,(H,20,21)
InChIKeyNPAAIVWVKODZIO-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.94
Rot. Bonds4

About 2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid

2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid (PubChem CID 82554586) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid.

Molecular Properties

Compound Name2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid
PubChem CID82554586
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid
SMILESCc1[nH]n2c(=O)c(Cc3ccccc3)nnc2c1CC(=O)O
InChIInChI=1S/C15H14N4O3/c1-9-11(8-13(20)21)14-17-16-12(15(22)19(14)18-9)7-10-5-3-2-4-6-10/h2-6,18H,7-8H2,1H3,(H,20,21)
InChIKeyNPAAIVWVKODZIO-UHFFFAOYSA-N
XLogP0.94
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl]acetic acid
CID 82554585
2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 138472633
6-benzyl-2,5-dimethyl-3-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155184493
2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid
CID 10634935
2-(5-methyl-7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 53214297
2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid
CID 83886975
3-benzyl-7H-[1,2,4]triazino[4,3-c]quinazoline-4,6-dione
CID 135872932
6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 157439431
6-[(2-chlorophenyl)methyl]-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 71695537
6-[(4-chlorophenyl)methyl]-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82273286
2-[2-(2,3-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
CID 50888969
4-benzyl-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 69343421

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid?
The IUPAC name of 2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid (CID 82554586) is 2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid.
What is the SMILES notation for 2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid?
The canonical SMILES for 2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid is Cc1[nH]n2c(=O)c(Cc3ccccc3)nnc2c1CC(=O)O.
What is the InChIKey of 2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid?
The InChIKey is NPAAIVWVKODZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9-11(8-13(20)21)14-17-16-12(15(22)19(14)18-9)7-10-5-3-2-4-6-10/h2-6,18H,7-8H2,1H3,(H,20,21).
What are the key properties of 2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid?
2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid has a molecular weight of 298.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid is sourced from PubChem (CID 82554586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).