N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide

C16H16N6O3 — CID 19021288

IUPACN-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide
SMILESCc1cc(N(C)C(=O)C(=O)NN)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C16H16N6O3/c1-9-7-12(21(2)16(25)15(24)18-17)14(23)13(8-9)22-19-10-5-3-4-6-11(10)20-22/h3-8,23H,17H2,1-2H3,(H,18,24)
InChIKeyJQEAGBNNOPDCJR-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.39
Rot. Bonds2

About N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide

N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide (PubChem CID 19021288) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide
PubChem CID19021288
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC NameN-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide
SMILESCc1cc(N(C)C(=O)C(=O)NN)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C16H16N6O3/c1-9-7-12(21(2)16(25)15(24)18-17)14(23)13(8-9)22-19-10-5-3-4-6-11(10)20-22/h3-8,23H,17H2,1-2H3,(H,18,24)
InChIKeyJQEAGBNNOPDCJR-UHFFFAOYSA-N
XLogP0.39
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide?
The IUPAC name of N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide (CID 19021288) is N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide?
The canonical SMILES for N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide is Cc1cc(N(C)C(=O)C(=O)NN)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide?
The InChIKey is JQEAGBNNOPDCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-9-7-12(21(2)16(25)15(24)18-17)14(23)13(8-9)22-19-10-5-3-4-6-11(10)20-22/h3-8,23H,17H2,1-2H3,(H,18,24).
What are the key properties of N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide?
N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide has a molecular weight of 340.34 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide is sourced from PubChem (CID 19021288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).