N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide

C12H13N5O2 — CID 54557148

IUPACN'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide
SMILESCC(=O)NNc1ncn(Cc2ccccc2)c(=O)n1
InChIInChI=1S/C12H13N5O2/c1-9(18)15-16-11-13-8-17(12(19)14-11)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,15,18)(H,14,16,19)
InChIKeyZNYYYBOCDQWPAA-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.15
Rot. Bonds4

About N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide

N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide (PubChem CID 54557148) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide
PubChem CID54557148
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide
SMILESCC(=O)NNc1ncn(Cc2ccccc2)c(=O)n1
InChIInChI=1S/C12H13N5O2/c1-9(18)15-16-11-13-8-17(12(19)14-11)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,15,18)(H,14,16,19)
InChIKeyZNYYYBOCDQWPAA-UHFFFAOYSA-N
XLogP0.15
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide?
The IUPAC name of N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide (CID 54557148) is N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide.
What is the SMILES notation for N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide?
The canonical SMILES for N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide is CC(=O)NNc1ncn(Cc2ccccc2)c(=O)n1.
What is the InChIKey of N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide?
The InChIKey is ZNYYYBOCDQWPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-9(18)15-16-11-13-8-17(12(19)14-11)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,15,18)(H,14,16,19).
What are the key properties of N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide?
N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide has a molecular weight of 259.27 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide is sourced from PubChem (CID 54557148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).