3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid

C7H10N4O2 — CID 83025369

IUPAC3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid
SMILESCN(C)Nc1nccnc1C(=O)O
InChIInChI=1S/C7H10N4O2/c1-11(2)10-6-5(7(12)13)8-3-4-9-6/h3-4H,1-2H3,(H,9,10)(H,12,13)
InChIKeyCMSGMKCAYQMROJ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.06
Rot. Bonds3

About 3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid

3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid (PubChem CID 83025369) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid
PubChem CID83025369
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid
SMILESCN(C)Nc1nccnc1C(=O)O
InChIInChI=1S/C7H10N4O2/c1-11(2)10-6-5(7(12)13)8-3-4-9-6/h3-4H,1-2H3,(H,9,10)(H,12,13)
InChIKeyCMSGMKCAYQMROJ-UHFFFAOYSA-N
XLogP0.06
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid (CID 83025369) is 3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid is CN(C)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid?
The InChIKey is CMSGMKCAYQMROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-11(2)10-6-5(7(12)13)8-3-4-9-6/h3-4H,1-2H3,(H,9,10)(H,12,13).
What are the key properties of 3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid?
3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 83025369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).