N'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide

C12H9ClN4O2 — CID 754530

IUPACN'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN4O2/c13-9-3-1-8(2-4-9)11(18)16-17-12(19)10-7-14-5-6-15-10/h1-7H,(H,16,18)(H,17,19)
InChIKeyXMRUGQJFSZJSKG-UHFFFAOYSA-N
MW276.68 g/mol
LogP1.20
Rot. Bonds2

About N'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide

N'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide (PubChem CID 754530) has the molecular formula C12H9ClN4O2 and a molecular weight of 276.68 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide
PubChem CID754530
Molecular FormulaC12H9ClN4O2
Molecular Weight276.68 g/mol
Exact Mass276.04
IUPAC NameN'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN4O2/c13-9-3-1-8(2-4-9)11(18)16-17-12(19)10-7-14-5-6-15-10/h1-7H,(H,16,18)(H,17,19)
InChIKeyXMRUGQJFSZJSKG-UHFFFAOYSA-N
XLogP1.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide (CID 754530) is N'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide is O=C(NNC(=O)c1cnccn1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide?
The InChIKey is XMRUGQJFSZJSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2/c13-9-3-1-8(2-4-9)11(18)16-17-12(19)10-7-14-5-6-15-10/h1-7H,(H,16,18)(H,17,19).
What are the key properties of N'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide?
N'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide has a molecular weight of 276.68 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)pyrazine-2-carbohydrazide is sourced from PubChem (CID 754530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).