N'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide

C13H15N5O2 — CID 54073718

IUPACN'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide
SMILESCC(=O)NNc1ncn(-c2c(C)cccc2C)c(=O)n1
InChIInChI=1S/C13H15N5O2/c1-8-5-4-6-9(2)11(8)18-7-14-12(15-13(18)20)17-16-10(3)19/h4-7H,1-3H3,(H,16,19)(H,15,17,20)
InChIKeyMIGIAGBDYATSKF-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.71
Rot. Bonds3

About N'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide

N'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide (PubChem CID 54073718) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide
PubChem CID54073718
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide
SMILESCC(=O)NNc1ncn(-c2c(C)cccc2C)c(=O)n1
InChIInChI=1S/C13H15N5O2/c1-8-5-4-6-9(2)11(8)18-7-14-12(15-13(18)20)17-16-10(3)19/h4-7H,1-3H3,(H,16,19)(H,15,17,20)
InChIKeyMIGIAGBDYATSKF-UHFFFAOYSA-N
XLogP0.71
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.71
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-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide?
The IUPAC name of N'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide (CID 54073718) is N'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide.
What is the SMILES notation for N'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide?
The canonical SMILES for N'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide is CC(=O)NNc1ncn(-c2c(C)cccc2C)c(=O)n1.
What is the InChIKey of N'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide?
The InChIKey is MIGIAGBDYATSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-5-4-6-9(2)11(8)18-7-14-12(15-13(18)20)17-16-10(3)19/h4-7H,1-3H3,(H,16,19)(H,15,17,20).
What are the key properties of N'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide?
N'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide has a molecular weight of 273.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide is sourced from PubChem (CID 54073718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).