2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid

C13H10N4O3 — CID 165352129

IUPAC2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid
SMILESO=C(O)C(=NNC(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C13H10N4O3/c18-12(10-8-14-6-7-15-10)17-16-11(13(19)20)9-4-2-1-3-5-9/h1-8H,(H,17,18)(H,19,20)
InChIKeyDGZRWBFQECBBMS-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.70
Rot. Bonds4

About 2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid

2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid (PubChem CID 165352129) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid
PubChem CID165352129
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid
SMILESO=C(O)C(=NNC(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C13H10N4O3/c18-12(10-8-14-6-7-15-10)17-16-11(13(19)20)9-4-2-1-3-5-9/h1-8H,(H,17,18)(H,19,20)
InChIKeyDGZRWBFQECBBMS-UHFFFAOYSA-N
XLogP0.70
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135656292
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5422251
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135880330
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457
N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 16564375
methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate
CID 12580941
(benzhydrylideneamino) pyrazine-2-carboxylate
CID 13331734
N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 3836792
N-(2-sulfanylphenyl)pyrazine-2-carboxamide
CID 136757506
1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione
CID 57283550
N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide
CID 170856265

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid?
The IUPAC name of 2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid (CID 165352129) is 2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid.
What is the SMILES notation for 2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid?
The canonical SMILES for 2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid is O=C(O)C(=NNC(=O)c1cnccn1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid?
The InChIKey is DGZRWBFQECBBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-12(10-8-14-6-7-15-10)17-16-11(13(19)20)9-4-2-1-3-5-9/h1-8H,(H,17,18)(H,19,20).
What are the key properties of 2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid?
2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid is sourced from PubChem (CID 165352129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).