2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid

C7H7N5O4 — CID 107409443

IUPAC2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-n2c(=O)[nH][nH]c2=O)cn1
InChIInChI=1S/C7H7N5O4/c13-5(14)3-11-2-4(1-8-11)12-6(15)9-10-7(12)16/h1-2H,3H2,(H,9,15)(H,10,16)(H,13,14)
InChIKeyQPLXQUVLZGJRDE-UHFFFAOYSA-N
MW225.16 g/mol
LogP-1.87
Rot. Bonds3

About 2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid

2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid (PubChem CID 107409443) has the molecular formula C7H7N5O4 and a molecular weight of 225.16 g/mol. Its IUPAC name is 2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid
PubChem CID107409443
Molecular FormulaC7H7N5O4
Molecular Weight225.16 g/mol
Exact Mass225.05
IUPAC Name2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-n2c(=O)[nH][nH]c2=O)cn1
InChIInChI=1S/C7H7N5O4/c13-5(14)3-11-2-4(1-8-11)12-6(15)9-10-7(12)16/h1-2H,3H2,(H,9,15)(H,10,16)(H,13,14)
InChIKeyQPLXQUVLZGJRDE-UHFFFAOYSA-N
XLogP-1.87
TPSA125.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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2-(4-thiophen-3-ylpyrazol-1-yl)acetic acid
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2-[4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
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2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548
2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid
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2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid (CID 107409443) is 2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(-n2c(=O)[nH][nH]c2=O)cn1.
What is the InChIKey of 2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid?
The InChIKey is QPLXQUVLZGJRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O4/c13-5(14)3-11-2-4(1-8-11)12-6(15)9-10-7(12)16/h1-2H,3H2,(H,9,15)(H,10,16)(H,13,14).
What are the key properties of 2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid?
2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid has a molecular weight of 225.16 g/mol, XLogP of -1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 107409443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).