2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C15H13N5O2 — CID 135479269

IUPAC2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cn1nnc2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C15H13N5O2/c21-14-8-4-1-5-11(14)9-16-18-15(22)10-20-13-7-3-2-6-12(13)17-19-20/h1-9,21H,10H2,(H,18,22)/b16-9+
InChIKeyZBULPRARFVSSNY-CXUHLZMHSA-N
MW295.30 g/mol
LogP1.29
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135479269) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135479269
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cn1nnc2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C15H13N5O2/c21-14-8-4-1-5-11(14)9-16-18-15(22)10-20-13-7-3-2-6-12(13)17-19-20/h1-9,21H,10H2,(H,18,22)/b16-9+
InChIKeyZBULPRARFVSSNY-CXUHLZMHSA-N
XLogP1.29
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(4-methoxybenzylidene)propanohydrazide
CID 9557770
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(3-methoxybenzylidene)propanohydrazide
CID 6889192
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)phenol
CID 3491594
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-methylphenol
CID 3764715
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(3-(2-meo-PH)-2-propenylidene)propanohydrazide
CID 6866690
(E)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N'-(4-hydroxy-3-methoxybenzylidene)acetohydrazide
CID 135439748
N-{(1Z)-2-[4-(diethylamino)-2-hydroxyphenyl]-1-azavinyl}-2-benzotriazolylaceta mide
CID 3627261
3-(1H-benzotriazol-1-yl)-N'-[(1E,2Z)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]propanehydrazide
CID 6866689
2-(benzotriazol-1-yl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135455138
3-(1H-1,2,3-benzotriazol-1-yl)-N'-(2-hydroxy-5-methoxybenzylidene)propanohydrazide
CID 135490295
2-(2H-1,2,3-benzotriazol-2-yl)-N'-{2-hydroxy-5-nitrobenzylidene}acetohydrazide
CID 135512384
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol
CID 3696191

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135479269) is 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(Cn1nnc2ccccc21)N/N=C/c1ccccc1O.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is ZBULPRARFVSSNY-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-14-8-4-1-5-11(14)9-16-18-15(22)10-20-13-7-3-2-6-12(13)17-19-20/h1-9,21H,10H2,(H,18,22)/b16-9+.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 295.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135479269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).