2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide

C15H13N5O3 — CID 135614576

IUPAC2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cn1nnc2ccccc21)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C15H13N5O3/c21-11-6-5-10(14(22)7-11)8-16-18-15(23)9-20-13-4-2-1-3-12(13)17-19-20/h1-8,21-22H,9H2,(H,18,23)/b16-8+
InChIKeyWYAYUHVZEBSFOK-LZYBPNLTSA-N
MW311.30 g/mol
LogP0.99
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 135614576) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID135614576
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cn1nnc2ccccc21)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C15H13N5O3/c21-11-6-5-10(14(22)7-11)8-16-18-15(23)9-20-13-4-2-1-3-12(13)17-19-20/h1-8,21-22H,9H2,(H,18,23)/b16-8+
InChIKeyWYAYUHVZEBSFOK-LZYBPNLTSA-N
XLogP0.99
TPSA112.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{(1Z)-2-[4-(diethylamino)-2-hydroxyphenyl]-1-azavinyl}-2-benzotriazolylaceta mide
CID 3627261
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-((2-HO-1-naphthyl)methylene)propanohydrazide
CID 135479309
1-(2,1,3-Benzothiadiazol-4-yl)-3-[(2,4-dihydroxyphenyl)methylideneamino]urea
CID 4121107
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(3-hydroxybenzylidene)propanohydrazide
CID 6867815
(E)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N'-(5-bromo-2-hydroxybenzylidene)acetohydrazide
CID 135489048
3-(1H-1,2,3-Benzotriazol-1-YL)N'-(1-(2-hydroxyphenyl)ethylidene)propanohydrazide
CID 135641993
3-(1H-1,2,3-Benzotriazol-1-YL)N'-(1-(3-hydroxyphenyl)ethylidene)propanohydrazide
CID 9615775
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(4-hydroxybenzylidene)propanohydrazide
CID 135554399
3-(1H-1,2,3-Benzotriazol-1-YL)N'-(1-(4-hydroxyphenyl)ethylidene)propanohydrazide
CID 135641992
2-(1H-Benzotriazol-1-yl)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135479269
(E)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N'-(3,5-dibromo-2-hydroxybenzylidene)acetohydrazide
CID 135606507
(E)-N'-(3-allyl-2-hydroxybenzylidene)-2-(1H-benzo[d][1,2,3]triazol-1-yl)acetohydrazide
CID 135679115

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (CID 135614576) is 2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is WYAYUHVZEBSFOK-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H13N5O3/c21-11-6-5-10(14(22)7-11)8-16-18-15(23)9-20-13-4-2-1-3-12(13)17-19-20/h1-8,21-22H,9H2,(H,18,23)/b16-8+.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 311.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135614576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).