2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid

C7H6N4O3 — CID 12814061

IUPAC2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid
SMILESO=C(O)Cn1ncn2nccc2c1=O
InChIInChI=1S/C7H6N4O3/c12-6(13)3-10-7(14)5-1-2-8-11(5)4-9-10/h1-2,4H,3H2,(H,12,13)
InChIKeyYBWSKZFXENCATM-UHFFFAOYSA-N
MW194.15 g/mol
LogP-1.02
Rot. Bonds2

About 2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid

2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid (PubChem CID 12814061) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid
PubChem CID12814061
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid
SMILESO=C(O)Cn1ncn2nccc2c1=O
InChIInChI=1S/C7H6N4O3/c12-6(13)3-10-7(14)5-1-2-8-11(5)4-9-10/h1-2,4H,3H2,(H,12,13)
InChIKeyYBWSKZFXENCATM-UHFFFAOYSA-N
XLogP-1.02
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-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

4H,5H-pyrazolo(1,5-d)(1,2,4)triazin-4-one
CID 585782
4-oxo-4H,5H-pyrazolo(1,5-a)pyrazine-7-carboxylic acid
CID 154872965
2-[3-(4-Methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19623349
5-Aminopyrazolo[1,5-a]pyrazin-4(5h)-one
CID 146037669
2-[(2-Methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258626
2-(3-Carbamoylpyrazol-1-yl)-2-fluoroacetic acid
CID 81298302
2-Fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid
CID 81298419
2-[3-(Dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid
CID 81298518
3,3,3-Trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid
CID 104734570
2-Fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid
CID 104734590
Ethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate
CID 104734591
2-[(1-Methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 113777395

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid?
The IUPAC name of 2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid (CID 12814061) is 2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid?
The canonical SMILES for 2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid is O=C(O)Cn1ncn2nccc2c1=O.
What is the InChIKey of 2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid?
The InChIKey is YBWSKZFXENCATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c12-6(13)3-10-7(14)5-1-2-8-11(5)4-9-10/h1-2,4H,3H2,(H,12,13).
What are the key properties of 2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid?
2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid has a molecular weight of 194.15 g/mol, XLogP of -1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid is sourced from PubChem (CID 12814061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).