2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid

C19H16N4O3 — CID 15025881

IUPAC2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid
SMILESO=C(O)CN1N=C(c2ccccc2)N2N=C(c3ccccc3)CC2C1=O
InChIInChI=1S/C19H16N4O3/c24-17(25)12-22-19(26)16-11-15(13-7-3-1-4-8-13)20-23(16)18(21-22)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,24,25)
InChIKeyNTAHXUJYPZBBIS-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.75
Rot. Bonds4

About 2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid

2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid (PubChem CID 15025881) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid
PubChem CID15025881
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid
SMILESO=C(O)CN1N=C(c2ccccc2)N2N=C(c3ccccc3)CC2C1=O
InChIInChI=1S/C19H16N4O3/c24-17(25)12-22-19(26)16-11-15(13-7-3-1-4-8-13)20-23(16)18(21-22)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,24,25)
InChIKeyNTAHXUJYPZBBIS-UHFFFAOYSA-N
XLogP1.75
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid with MolForge

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Related Compounds

2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide
CID 15048359
2-[2-(4-methoxyphenyl)-4-oxo-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
CID 15025880
2,5-diphenyl-3,4-dihydropyrazole-3-carboxamide
CID 175059714
4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 846205
(5Z)-4-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-one
CID 50740787
2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid
CID 91969569
2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid
CID 7675432
7-methyl-2-phenyl-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
CID 3073409
4-[(3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 935727
4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3712844
5-[(3R)-3-(4-ethylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 7158129
methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
CID 40525014

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid?
The IUPAC name of 2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid (CID 15025881) is 2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid is O=C(O)CN1N=C(c2ccccc2)N2N=C(c3ccccc3)CC2C1=O.
What is the InChIKey of 2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid?
The InChIKey is NTAHXUJYPZBBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-17(25)12-22-19(26)16-11-15(13-7-3-1-4-8-13)20-23(16)18(21-22)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,24,25).
What are the key properties of 2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid?
2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid has a molecular weight of 348.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid is sourced from PubChem (CID 15025881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).