3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide

C16H15N5O2 — CID 6867815

IUPAC3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCn1nnc2ccccc21)N/N=C/c1cccc(O)c1
InChIInChI=1S/C16H15N5O2/c22-13-5-3-4-12(10-13)11-17-19-16(23)8-9-21-15-7-2-1-6-14(15)18-20-21/h1-7,10-11,22H,8-9H2,(H,19,23)/b17-11+
InChIKeyFHUSVXGFJDUOBE-GZTJUZNOSA-N
MW309.33 g/mol
LogP1.68
Rot. Bonds5

About 3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide

3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide (PubChem CID 6867815) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide
PubChem CID6867815
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCn1nnc2ccccc21)N/N=C/c1cccc(O)c1
InChIInChI=1S/C16H15N5O2/c22-13-5-3-4-12(10-13)11-17-19-16(23)8-9-21-15-7-2-1-6-14(15)18-20-21/h1-7,10-11,22H,8-9H2,(H,19,23)/b17-11+
InChIKeyFHUSVXGFJDUOBE-GZTJUZNOSA-N
XLogP1.68
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-ethoxy-4-hydroxybenzylidene)propanohydrazide
CID 135635860
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(3-methoxybenzylidene)propanohydrazide
CID 6889192
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(4-HO-3-methoxybenzylidene)propanohydrazide
CID 135517146
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-(1H-1,2,3-benzotriazol-1-yl)-N'-(4-hydroxy-3-methoxybenzylidene)propanohydrazide
CID 135490328
2-(benzotriazol-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 5339035

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide (CID 6867815) is 3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide is O=C(CCn1nnc2ccccc21)N/N=C/c1cccc(O)c1.
What is the InChIKey of 3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide?
The InChIKey is FHUSVXGFJDUOBE-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-13-5-3-4-12(10-13)11-17-19-16(23)8-9-21-15-7-2-1-6-14(15)18-20-21/h1-7,10-11,22H,8-9H2,(H,19,23)/b17-11+.
What are the key properties of 3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide?
3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide has a molecular weight of 309.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 6867815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).