4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide

C13H14N4O3 — CID 63582046

IUPAC4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide
SMILESCn1ccn(Cc2ccc(C(=O)NN)cc2)c(=O)c1=O
InChIInChI=1S/C13H14N4O3/c1-16-6-7-17(13(20)12(16)19)8-9-2-4-10(5-3-9)11(18)15-14/h2-7H,8,14H2,1H3,(H,15,18)
InChIKeyZQBWUFUYMOBWQR-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.80
Rot. Bonds3

About 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide

4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide (PubChem CID 63582046) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide
PubChem CID63582046
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide
SMILESCn1ccn(Cc2ccc(C(=O)NN)cc2)c(=O)c1=O
InChIInChI=1S/C13H14N4O3/c1-16-6-7-17(13(20)12(16)19)8-9-2-4-10(5-3-9)11(18)15-14/h2-7H,8,14H2,1H3,(H,15,18)
InChIKeyZQBWUFUYMOBWQR-UHFFFAOYSA-N
XLogP-0.80
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide (CID 63582046) is 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide is Cn1ccn(Cc2ccc(C(=O)NN)cc2)c(=O)c1=O.
What is the InChIKey of 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide?
The InChIKey is ZQBWUFUYMOBWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-16-6-7-17(13(20)12(16)19)8-9-2-4-10(5-3-9)11(18)15-14/h2-7H,8,14H2,1H3,(H,15,18).
What are the key properties of 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide?
4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide has a molecular weight of 274.28 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 63582046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).