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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Related Compounds

3-acetamidopyrazine-2-carboxylic acid
CID 10511603
3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid
CID 62711461
3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid
CID 62710303
3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
CID 114176023
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid
CID 63259868
3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid
CID 62710998
3-(propylsulfonylamino)pyrazine-2-carboxylic acid
CID 63260393
3-(2,2-dimethylhydrazinyl)pyrazin-2-amine
CID 102987058
3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262061
3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid
CID 62709321
3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid
CID 115408711

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).