4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide

C12H13N5O2 — CID 135686482

IUPAC4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide
SMILESCc1ccc(C(=O)NNc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C12H13N5O2/c1-7-3-5-9(6-4-7)11(19)15-17-12-13-10(18)8(2)14-16-12/h3-6H,1-2H3,(H,15,19)(H2,13,16,17,18)
InChIKeyRZEFYRJBERIAAB-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.54
Rot. Bonds3

About 4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide

4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide (PubChem CID 135686482) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide
PubChem CID135686482
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide
SMILESCc1ccc(C(=O)NNc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C12H13N5O2/c1-7-3-5-9(6-4-7)11(19)15-17-12-13-10(18)8(2)14-16-12/h3-6H,1-2H3,(H,15,19)(H2,13,16,17,18)
InChIKeyRZEFYRJBERIAAB-UHFFFAOYSA-N
XLogP0.54
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
The IUPAC name of 4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide (CID 135686482) is 4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide.
What is the SMILES notation for 4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
The canonical SMILES for 4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide is Cc1ccc(C(=O)NNc2nnc(C)c(=O)[nH]2)cc1.
What is the InChIKey of 4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
The InChIKey is RZEFYRJBERIAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7-3-5-9(6-4-7)11(19)15-17-12-13-10(18)8(2)14-16-12/h3-6H,1-2H3,(H,15,19)(H2,13,16,17,18).
What are the key properties of 4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide has a molecular weight of 259.27 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide is sourced from PubChem (CID 135686482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).