[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate

C14H12ClN5O4 — CID 7469231

IUPAC[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN5O4/c15-9-3-1-8(2-4-9)13(22)20-19-10(21)7-24-14(23)11-12(16)18-6-5-17-11/h1-6H,7H2,(H2,16,18)(H,19,21)(H,20,22)
InChIKeyDZGPJOBKZVBOEW-UHFFFAOYSA-N
MW349.73 g/mol
LogP0.33
Rot. Bonds4

About [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate (PubChem CID 7469231) has the molecular formula C14H12ClN5O4 and a molecular weight of 349.73 g/mol. Its IUPAC name is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
PubChem CID7469231
Molecular FormulaC14H12ClN5O4
Molecular Weight349.73 g/mol
Exact Mass349.06
IUPAC Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN5O4/c15-9-3-1-8(2-4-9)13(22)20-19-10(21)7-24-14(23)11-12(16)18-6-5-17-11/h1-6H,7H2,(H2,16,18)(H,19,21)(H,20,22)
InChIKeyDZGPJOBKZVBOEW-UHFFFAOYSA-N
XLogP0.33
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.73
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 18289074
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2645874
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 7838369
3-amino-N'-(4-ethylbenzoyl)pyrazine-2-carbohydrazide
CID 42003587
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-acetamidobenzoate
CID 7949789
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate
CID 7782405
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-nitrobenzoate
CID 7859421
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991562
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 7469302
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8510885
[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-chlorobenzoate
CID 9067593
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663401

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate (CID 7469231) is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate is Nc1nccnc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The InChIKey is DZGPJOBKZVBOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O4/c15-9-3-1-8(2-4-9)13(22)20-19-10(21)7-24-14(23)11-12(16)18-6-5-17-11/h1-6H,7H2,(H2,16,18)(H,19,21)(H,20,22).
What are the key properties of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate has a molecular weight of 349.73 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 7469231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).