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

C16H16N6O3 — CID 19022032

IUPACN-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-2-hydrazinyl-2-oxoacetamide
SMILESCc1cc(CNC(=O)C(=O)NN)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C16H16N6O3/c1-9-6-10(8-18-15(24)16(25)19-17)14(23)13(7-9)22-20-11-4-2-3-5-12(11)21-22/h2-7,23H,8,17H2,1H3,(H,18,24)(H,19,25)
InChIKeyRFXOIGOGURJMLT-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.04
Rot. Bonds3

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

N-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-2-hydrazinyl-2-oxoacetamide (PubChem CID 19022032) 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]methyl]-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-2-hydrazinyl-2-oxoacetamide
PubChem CID19022032
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC NameN-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-2-hydrazinyl-2-oxoacetamide
SMILESCc1cc(CNC(=O)C(=O)NN)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C16H16N6O3/c1-9-6-10(8-18-15(24)16(25)19-17)14(23)13(7-9)22-20-11-4-2-3-5-12(11)21-22/h2-7,23H,8,17H2,1H3,(H,18,24)(H,19,25)
InChIKeyRFXOIGOGURJMLT-UHFFFAOYSA-N
XLogP0.04
TPSA135.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'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]methyl]-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-2-hydrazinyl-2-oxoacetamide (CID 19022032) is N-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-2-hydrazinyl-2-oxoacetamide is Cc1cc(CNC(=O)C(=O)NN)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of N-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-2-hydrazinyl-2-oxoacetamide?
The InChIKey is RFXOIGOGURJMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-9-6-10(8-18-15(24)16(25)19-17)14(23)13(7-9)22-20-11-4-2-3-5-12(11)21-22/h2-7,23H,8,17H2,1H3,(H,18,24)(H,19,25).
What are the key properties of N-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-2-hydrazinyl-2-oxoacetamide?
N-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-2-hydrazinyl-2-oxoacetamide has a molecular weight of 340.34 g/mol, XLogP of 0.04, 3 rotatable bonds, 4 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]methyl]-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 19022032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).