4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid

C9H10N6O3 — CID 70089768

IUPAC4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid
SMILESNNNNc1c(C(=O)O)noc1-c1cccnc1
InChIInChI=1S/C9H10N6O3/c10-14-15-12-6-7(9(16)17)13-18-8(6)5-2-1-3-11-4-5/h1-4,12,14-15H,10H2,(H,16,17)
InChIKeyASCCRWNZOLDCTI-UHFFFAOYSA-N
MW250.22 g/mol
LogP-0.27
Rot. Bonds5

About 4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid

4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid (PubChem CID 70089768) has the molecular formula C9H10N6O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is 4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid
PubChem CID70089768
Molecular FormulaC9H10N6O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid
SMILESNNNNc1c(C(=O)O)noc1-c1cccnc1
InChIInChI=1S/C9H10N6O3/c10-14-15-12-6-7(9(16)17)13-18-8(6)5-2-1-3-11-4-5/h1-4,12,14-15H,10H2,(H,16,17)
InChIKeyASCCRWNZOLDCTI-UHFFFAOYSA-N
XLogP-0.27
TPSA138.33 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid (CID 70089768) is 4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid is NNNNc1c(C(=O)O)noc1-c1cccnc1.
What is the InChIKey of 4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid?
The InChIKey is ASCCRWNZOLDCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3/c10-14-15-12-6-7(9(16)17)13-18-8(6)5-2-1-3-11-4-5/h1-4,12,14-15H,10H2,(H,16,17).
What are the key properties of 4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid?
4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid has a molecular weight of 250.22 g/mol, XLogP of -0.27, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydrazinylhydrazinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 70089768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).