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

C14H16N4O3 — CID 105352234

IUPAC2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide
SMILESCn1ccn(Cc2ccc(CC(=O)NN)cc2)c(=O)c1=O
InChIInChI=1S/C14H16N4O3/c1-17-6-7-18(14(21)13(17)20)9-11-4-2-10(3-5-11)8-12(19)16-15/h2-7H,8-9,15H2,1H3,(H,16,19)
InChIKeyWESWNBDHSWLGJS-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.87
Rot. Bonds4

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

2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide (PubChem CID 105352234) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide
PubChem CID105352234
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide
SMILESCn1ccn(Cc2ccc(CC(=O)NN)cc2)c(=O)c1=O
InChIInChI=1S/C14H16N4O3/c1-17-6-7-18(14(21)13(17)20)9-11-4-2-10(3-5-11)8-12(19)16-15/h2-7H,8-9,15H2,1H3,(H,16,19)
InChIKeyWESWNBDHSWLGJS-UHFFFAOYSA-N
XLogP-0.87
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.87
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 2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide (CID 105352234) is 2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide is Cn1ccn(Cc2ccc(CC(=O)NN)cc2)c(=O)c1=O.
What is the InChIKey of 2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide?
The InChIKey is WESWNBDHSWLGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-17-6-7-18(14(21)13(17)20)9-11-4-2-10(3-5-11)8-12(19)16-15/h2-7H,8-9,15H2,1H3,(H,16,19).
What are the key properties of 2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide?
2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide has a molecular weight of 288.31 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).