2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide

C14H13N5O2 — CID 5412738

IUPAC2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N\NC(=O)Cn2nnc3ccccc32)o1
InChIInChI=1S/C14H13N5O2/c1-10-6-7-11(21-10)8-15-17-14(20)9-19-13-5-3-2-4-12(13)16-18-19/h2-8H,9H2,1H3,(H,17,20)/b15-8-
InChIKeyMXBMCMBIDVBYJI-NVNXTCNLSA-N
MW283.29 g/mol
LogP1.48
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide (PubChem CID 5412738) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
PubChem CID5412738
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N\NC(=O)Cn2nnc3ccccc32)o1
InChIInChI=1S/C14H13N5O2/c1-10-6-7-11(21-10)8-15-17-14(20)9-19-13-5-3-2-4-12(13)16-18-19/h2-8H,9H2,1H3,(H,17,20)/b15-8-
InChIKeyMXBMCMBIDVBYJI-NVNXTCNLSA-N
XLogP1.48
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
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'}

Analyze 2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)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

2-(1H-benzotriazol-1-yl)-N'-[(1E)-1-(furan-2-yl)ethylidene]acetohydrazide
CID 9593598
N'-[(E)-(5-methylfuran-2-yl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 5930265
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(1-(2-furyl)ethylidene)propanohydrazide
CID 9615773
(2-Methyl-benzoimidazol-1-yl)-acetic acid (5-methyl-furan-2-ylmethylene)-hydrazide
CID 5405991
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(5-methylfuran-2-yl)methylidene]acetohydrazide
CID 5400166
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
CID 9556917
2-(1H-benzimidazol-1-yl)-N'-[(1E)-2-furylmethylene]acetohydrazide
CID 9562791
2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5343148
2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 2823419
2-(1H-benzotriazol-1-yl)-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
CID 9557236
N'-(2-Furylmethylene)-2-(2-methyl-1H-benzimidazol-1-YL)acetohydrazide
CID 7387973
2-(Benzotriazol-1-ylmethyl)furan
CID 3724645

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide (CID 5412738) is 2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide is Cc1ccc(/C=N\NC(=O)Cn2nnc3ccccc32)o1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is MXBMCMBIDVBYJI-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-10-6-7-11(21-10)8-15-17-14(20)9-19-13-5-3-2-4-12(13)16-18-19/h2-8H,9H2,1H3,(H,17,20)/b15-8-.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 283.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5412738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).